2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene

C20H18F6O — CID 165070787

IUPAC2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene
SMILESCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3F)c(F)c2)CC1
InChIInChI=1S/C20H18F6O/c1-11-2-4-12(5-3-11)13-6-7-14(16(21)10-13)15-8-9-17(19(23)18(15)22)27-20(24,25)26/h6-12H,2-5H2,1H3
InChIKeySSGXNYBVDISVRO-UHFFFAOYSA-N
MW388.35 g/mol
LogP6.96
Rot. Bonds3

About 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene

2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene (PubChem CID 165070787) has the molecular formula C20H18F6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene
PubChem CID165070787
Molecular FormulaC20H18F6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene
SMILESCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3F)c(F)c2)CC1
InChIInChI=1S/C20H18F6O/c1-11-2-4-12(5-3-11)13-6-7-14(16(21)10-13)15-8-9-17(19(23)18(15)22)27-20(24,25)26/h6-12H,2-5H2,1H3
InChIKeySSGXNYBVDISVRO-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
1-[difluoro-(3,4,5-trifluorophenoxy)methyl]-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 129159361
1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 135223756
1-(4-tert-butylphenyl)-2,3-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 91439286
2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene
CID 59874068
1-ethoxy-2,3-difluoro-4-[2-fluoro-4-(4-nonylcyclohexyl)phenyl]benzene
CID 59874071
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342
2,3-difluoro-1-[2-fluoro-4-(4-octylcyclohexyl)phenyl]-4-nonoxybenzene
CID 59874121
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
CID 162516344
1-butoxy-2,3-difluoro-4-[2-fluoro-4-[4-[(E)-4-(4-methylcyclohexyl)but-3-enyl]cyclohexyl]phenyl]benzene
CID 118888425

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene (CID 165070787) is 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene is CC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3F)c(F)c2)CC1.
What is the InChIKey of 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene?
The InChIKey is SSGXNYBVDISVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6O/c1-11-2-4-12(5-3-11)13-6-7-14(16(21)10-13)15-8-9-17(19(23)18(15)22)27-20(24,25)26/h6-12H,2-5H2,1H3.
What are the key properties of 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene?
2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene has a molecular weight of 388.35 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 165070787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).