2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene

C20H18F6O — CID 21049697

IUPAC2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C20H18F6O/c1-11-2-4-12(5-3-11)13-8-17(23)19(18(24)9-13)20(25,26)27-14-6-7-15(21)16(22)10-14/h6-12H,2-5H2,1H3
InChIKeyMFNRHCWMEWSOJK-UHFFFAOYSA-N
MW388.35 g/mol
LogP6.66
Rot. Bonds4

About 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene

2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene (PubChem CID 21049697) has the molecular formula C20H18F6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene
PubChem CID21049697
Molecular FormulaC20H18F6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C20H18F6O/c1-11-2-4-12(5-3-11)13-8-17(23)19(18(24)9-13)20(25,26)27-14-6-7-15(21)16(22)10-14/h6-12H,2-5H2,1H3
InChIKeyMFNRHCWMEWSOJK-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;ethane
CID 145464155
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;molecular hydrogen;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 161374857
2-[difluoro-(4-fluorophenoxy)methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 20654174
[4-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-2-fluorophenyl]-pentafluoro-λ6-sulfane
CID 21363239
5-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene
CID 118283125
2-[difluoro-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]methyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59328288
(3,4-difluorophenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;molecular hydrogen
CID 159652850
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816
1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-2-(trifluoromethyl)benzene;1-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 91212587
2-[[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene
CID 89280295
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337
2-[[4-(difluoromethoxy)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 20653958

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene?
The IUPAC name of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene (CID 21049697) is 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene?
The canonical SMILES for 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene is CC1CCC(c2cc(F)c(C(F)(F)Oc3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene?
The InChIKey is MFNRHCWMEWSOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6O/c1-11-2-4-12(5-3-11)13-8-17(23)19(18(24)9-13)20(25,26)27-14-6-7-15(21)16(22)10-14/h6-12H,2-5H2,1H3.
What are the key properties of 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene?
2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene has a molecular weight of 388.35 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenoxy)-difluoromethyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 21049697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).