1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene

C14H15F5O — CID 20591337

IUPAC1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
SMILESCC1CCC(c2cc(F)c(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C14H15F5O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)20-14(17,18)19/h6-9H,2-5H2,1H3
InChIKeyXTGOJRQNTIXLCI-UHFFFAOYSA-N
MW294.26 g/mol
LogP5.16
Rot. Bonds2

About 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene

1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene (PubChem CID 20591337) has the molecular formula C14H15F5O and a molecular weight of 294.26 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
PubChem CID20591337
Molecular FormulaC14H15F5O
Molecular Weight294.26 g/mol
Exact Mass294.10
IUPAC Name1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
SMILESCC1CCC(c2cc(F)c(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C14H15F5O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)20-14(17,18)19/h6-9H,2-5H2,1H3
InChIKeyXTGOJRQNTIXLCI-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.26
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenyl]methoxy]-1,3-difluoro-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene
CID 162547275
2-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 139748673
1,3-difluoro-5-[4-(4-hept-3-enylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene
CID 54258081
1,3-difluoro-5-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]-2-(trifluoromethoxy)benzene
CID 67589680
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384304
5-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 54414712
1,3-difluoro-5-[4-(4,4,4-trifluorobut-1-enyl)cyclohexyl]-2-(trifluoromethoxy)benzene
CID 54522431
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 122469922
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384447
6-[(6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,3,8-trifluoro-2-(trifluoromethoxy)naphthalene
CID 20808190

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene (CID 20591337) is 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene is CC1CCC(c2cc(F)c(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene?
The InChIKey is XTGOJRQNTIXLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5O/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)20-14(17,18)19/h6-9H,2-5H2,1H3.
What are the key properties of 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene?
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene has a molecular weight of 294.26 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 20591337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).