2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene

C14H16F4O — CID 20591351

IUPAC2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
SMILESCC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C14H16F4O/c1-9-2-4-10(5-3-9)11-6-7-13(12(15)8-11)19-14(16,17)18/h6-10H,2-5H2,1H3
InChIKeyUTGSQCDMBCOAPN-UHFFFAOYSA-N
MW276.27 g/mol
LogP5.02
Rot. Bonds2

About 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene

2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene (PubChem CID 20591351) has the molecular formula C14H16F4O and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
PubChem CID20591351
Molecular FormulaC14H16F4O
Molecular Weight276.27 g/mol
Exact Mass276.11
IUPAC Name2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
SMILESCC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C14H16F4O/c1-9-2-4-10(5-3-9)11-6-7-13(12(15)8-11)19-14(16,17)18/h6-10H,2-5H2,1H3
InChIKeyUTGSQCDMBCOAPN-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.27
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837275
2,3-difluoro-1-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(trifluoromethoxy)benzene
CID 165070787
[2-fluoro-4-(4-methylcyclohexyl)phenyl] 4-(trifluoromethoxy)benzoate
CID 23534257
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]-1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 162547275
[3-fluoro-4-(trifluoromethoxy)phenyl] 4-(4-methylcyclohexyl)benzoate;[4-(trifluoromethoxy)phenyl] 4-(4-methylcyclohexyl)benzoate
CID 54485580
2-fluoro-4-[8-[4-(4-methylcyclohexyl)phenyl]octoxy]-1-(trifluoromethoxy)benzene
CID 20603151
(2R,4aR,8aR)-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809401
2-fluoro-4-[4-(4-methylpenta-1,3-dienyl)cyclohexyl]-1-(trifluoromethoxy)benzene
CID 54524925
1-[difluoro-[2-fluoro-4-(4-methylcyclohexyl)phenyl]methoxy]-4-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene-3,5-diid-1-yl]benzene-3,5-diide;tetrakis(yttrium)
CID 145464168
4-cyclobutyl-2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 162562342

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene?
The IUPAC name of 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene (CID 20591351) is 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene?
The canonical SMILES for 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene is CC1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene?
The InChIKey is UTGSQCDMBCOAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O/c1-9-2-4-10(5-3-9)11-6-7-13(12(15)8-11)19-14(16,17)18/h6-10H,2-5H2,1H3.
What are the key properties of 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene?
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene has a molecular weight of 276.27 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 20591351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).