[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate

C106H108F20O11 — CID 157331078

IUPAC[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate
SMILESCC1(C)CCCC1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCCC1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCC[C@@H]1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCC[C@H]1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2F)c(C2=CCCC2(C)C)c1
InChIInChI=1S/C22H20F4O3.4C21H22F4O2/c1-21(2)10-4-5-18(21)16-11-13(20(27)28-3)6-8-15(16)17-12-14(7-9-19(17)23)29-22(24,25)26;4*1-20(2)9-3-4-18(20)16-10-13(12-26)5-7-15(16)17-11-14(6-8-19(17)22)27-21(23,24)25/h5-9,11-12H,4,10H2,1-3H3;4*5-8,10-11,18,26H,3-4,9,12H2,1-2H3/t;2*18-;;/m.10../s1
InChIKeyBFHHMSUMEOIOSA-BNDAOIEBSA-N
MW1937.98 g/mol
LogP31.09
Rot. Bonds20

About [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate

[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate (PubChem CID 157331078) has the molecular formula C106H108F20O11 and a molecular weight of 1937.98 g/mol. Its IUPAC name is [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate.

Molecular Properties

Compound Name[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate
PubChem CID157331078
Molecular FormulaC106H108F20O11
Molecular Weight1937.98 g/mol
Exact Mass1936.76
IUPAC Name[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate
SMILESCC1(C)CCCC1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCCC1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCC[C@@H]1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCC[C@H]1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2F)c(C2=CCCC2(C)C)c1
InChIInChI=1S/C22H20F4O3.4C21H22F4O2/c1-21(2)10-4-5-18(21)16-11-13(20(27)28-3)6-8-15(16)17-12-14(7-9-19(17)23)29-22(24,25)26;4*1-20(2)9-3-4-18(20)16-10-13(12-26)5-7-15(16)17-11-14(6-8-19(17)22)27-21(23,24)25/h5-9,11-12H,4,10H2,1-3H3;4*5-8,10-11,18,26H,3-4,9,12H2,1-2H3/t;2*18-;;/m.10../s1
InChIKeyBFHHMSUMEOIOSA-BNDAOIEBSA-N
XLogP31.09
TPSA153.37 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.98
LogP ≤ 531.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate with MolForge

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Related Compounds

3-[(1E,3Z)-6-[4-(1-adamantyl)-3-[(3,5-difluorophenyl)methoxy]phenyl]-1-carboxy-2-methylhexa-1,3-dien-3-yl]benzoic acid
CID 44379100
Estandron prolongatum
CID 3081537
4-[3-(Difluoromethoxy)phenyl]-3-(2,2-dimethylcyclopentyl)benzoic acid
CID 58380037
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(2,2,2-trifluoroacetyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 68218461
(3S)-3-cyclopropyl-3-[3-[[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(2,2,2-trifluoroacetyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 68218462
(3R)-3-cyclopropyl-3-[3-[[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(2,2,2-trifluoroacetyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 68218463
4-[(1E,5E)-6-(4-carboxy-2-methoxyphenyl)-1,6-difluoro-2,5-bis(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)hexa-1,5-dienyl]-3-hydroxybenzoic acid
CID 70477204
(3R)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(2,2,2-trifluoroacetyl)phenyl]phenyl]methoxy]phenyl]propanoic acid
CID 71018634
4-(2-fluoro-5-methoxyphenyl)-2-methyl-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzoic acid
CID 117867043
4-(2-fluoro-5-methoxy-3-methylphenyl)-3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]benzoic acid
CID 117867044
4-[3-(Difluoromethoxy)phenyl]-3-(2,2-dimethylcyclopentyl)-2-methylbenzoic acid
CID 117867108
(3R)-3-[3-[[4-(2-fluoro-5-methoxyphenyl)-3-(1-tricyclo[3.3.1.03,7]nonanyl)phenyl]methoxy]phenyl]butanoic acid
CID 143788903

Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate?
The IUPAC name of [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate (CID 157331078) is [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate.
What is the SMILES notation for [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate?
The canonical SMILES for [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate is CC1(C)CCCC1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCCC1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCC[C@@H]1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.CC1(C)CCC[C@H]1c1cc(CO)ccc1-c1cc(OC(F)(F)F)ccc1F.COC(=O)c1ccc(-c2cc(OC(F)(F)F)ccc2F)c(C2=CCCC2(C)C)c1.
What is the InChIKey of [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate?
The InChIKey is BFHHMSUMEOIOSA-BNDAOIEBSA-N. The full InChI is InChI=1S/C22H20F4O3.4C21H22F4O2/c1-21(2)10-4-5-18(21)16-11-13(20(27)28-3)6-8-15(16)17-12-14(7-9-19(17)23)29-22(24,25)26;4*1-20(2)9-3-4-18(20)16-10-13(12-26)5-7-15(16)17-11-14(6-8-19(17)22)27-21(23,24)25/h5-9,11-12H,4,10H2,1-3H3;4*5-8,10-11,18,26H,3-4,9,12H2,1-2H3/t;2*18-;;/m.10../s1.
What are the key properties of [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate?
[3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate has a molecular weight of 1937.98 g/mol, XLogP of 31.09, 20 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;[3-[(1S)-2,2-dimethylcyclopentyl]-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol;bis([3-(2,2-dimethylcyclopentyl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]methanol);methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-[2-fluoro-5-(trifluoromethoxy)phenyl]benzoate is sourced from PubChem (CID 157331078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).