cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol

C23H27F3O — CID 134950018

IUPACcis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCCC1(CC)C[C@H](c2ccc(C)cc2)[C@@](O)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C23H27F3O/c1-4-21(5-2)14-20(17-8-6-16(3)7-9-17)22(27,15-21)18-10-12-19(13-11-18)23(24,25)26/h6-13,20,27H,4-5,14-15H2,1-3H3/t20-,22+/m1/s1
InChIKeyWAJAVDNNPMIDIO-IRLDBZIGSA-N
MW376.46 g/mol
LogP6.59
Rot. Bonds4

About cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol

cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol (PubChem CID 134950018) has the molecular formula C23H27F3O and a molecular weight of 376.46 g/mol. Its IUPAC name is cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
PubChem CID134950018
Molecular FormulaC23H27F3O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Namecis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESCCC1(CC)C[C@H](c2ccc(C)cc2)[C@@](O)(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C23H27F3O/c1-4-21(5-2)14-20(17-8-6-16(3)7-9-17)22(27,15-21)18-10-12-19(13-11-18)23(24,25)26/h6-13,20,27H,4-5,14-15H2,1-3H3/t20-,22+/m1/s1
InChIKeyWAJAVDNNPMIDIO-IRLDBZIGSA-N
XLogP6.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 90212559
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
ethyl 2-methyl-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 170387451
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2-methyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 62789048
trans-(1S,2R)-1-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 165456562
(4R,5R)-4-hydroxy-4-[[(R)-(4-methylphenyl)sulfinyl]methyl]-5-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
CID 42598559
(4R,5R)-4-hydroxy-4-[(4-methylphenyl)sulfinylmethyl]-5-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
CID 102507946
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
3-methyl-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 64516236
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol (CID 134950018) is cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol is CCC1(CC)C[C@H](c2ccc(C)cc2)[C@@](O)(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The InChIKey is WAJAVDNNPMIDIO-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H27F3O/c1-4-21(5-2)14-20(17-8-6-16(3)7-9-17)22(27,15-21)18-10-12-19(13-11-18)23(24,25)26/h6-13,20,27H,4-5,14-15H2,1-3H3/t20-,22+/m1/s1.
What are the key properties of cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol has a molecular weight of 376.46 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-4,4-diethyl-2-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 134950018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).