1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene

C18H23F5O — CID 19746989

IUPAC1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC(F)(F)CC1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H23F5O/c1-2-11-17(19,20)12-13-3-5-14(6-4-13)15-7-9-16(10-8-15)24-18(21,22)23/h7-10,13-14H,2-6,11-12H2,1H3
InChIKeyPMKPFNJWPQDCRZ-UHFFFAOYSA-N
MW350.37 g/mol
LogP6.68
Rot. Bonds6

About 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene

1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene (PubChem CID 19746989) has the molecular formula C18H23F5O and a molecular weight of 350.37 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
PubChem CID19746989
Molecular FormulaC18H23F5O
Molecular Weight350.37 g/mol
Exact Mass350.17
IUPAC Name1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC(F)(F)CC1CCC(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H23F5O/c1-2-11-17(19,20)12-13-3-5-14(6-4-13)15-7-9-16(10-8-15)24-18(21,22)23/h7-10,13-14H,2-6,11-12H2,1H3
InChIKeyPMKPFNJWPQDCRZ-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
1-(4-ethylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864736
1-(4-heptylcyclohexyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzene
CID 67864922
2-[2-(4-propylcyclohexyl)ethyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837145
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-[4-(3-methylbutyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19702461
1-[2-(4-propylcyclohexyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 22908550
(4aR,6R,8aR)-2-propyl-6-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809535
1-[4-(3-methylidenepentyl)cyclohexyl]-4-[4-(trifluoromethoxy)phenyl]benzene
CID 22131651
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
9-pentyl-3-[4-(trifluoromethoxy)phenyl]spiro[5.5]undecane
CID 15201511
[4-(trifluoromethoxy)phenyl] 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 71436680

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene (CID 19746989) is 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene is CCCC(F)(F)CC1CCC(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The InChIKey is PMKPFNJWPQDCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F5O/c1-2-11-17(19,20)12-13-3-5-14(6-4-13)15-7-9-16(10-8-15)24-18(21,22)23/h7-10,13-14H,2-6,11-12H2,1H3.
What are the key properties of 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene has a molecular weight of 350.37 g/mol, XLogP of 6.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropentyl)cyclohexyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 19746989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).