2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene

C18H24F4 — CID 162555914

IUPAC2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene
SMILESCCCC(C)C1CCC(c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C18H24F4/c1-3-4-12(2)13-5-7-14(8-6-13)15-9-10-16(17(19)11-15)18(20,21)22/h9-14H,3-8H2,1-2H3
InChIKeyZQKRGIOWRQMYHU-UHFFFAOYSA-N
MW316.38 g/mol
LogP6.55
Rot. Bonds4

About 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene

2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene (PubChem CID 162555914) has the molecular formula C18H24F4 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene
PubChem CID162555914
Molecular FormulaC18H24F4
Molecular Weight316.38 g/mol
Exact Mass316.18
IUPAC Name2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene
SMILESCCCC(C)C1CCC(c2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C18H24F4/c1-3-4-12(2)13-5-7-14(8-6-13)15-9-10-16(17(19)11-15)18(20,21)22/h9-14H,3-8H2,1-2H3
InChIKeyZQKRGIOWRQMYHU-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[4-[4-(4-methylpentyl)cyclohexyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 19702487
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569
[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl] 2-fluoro-4-(4-pentan-2-ylcyclohexyl)benzoate
CID 162555838
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
CID 22913817
CID 22913817
2-fluoro-4-[2-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]ethyl]-1-(trifluoromethyl)benzene
CID 22373784
4-[4-(4,4-difluorobut-1-enyl)cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 54065273
4-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 139629362
1,2,3-trifluoro-5-[4-(5-methylheptan-2-yl)cyclohexyl]benzene
CID 165378015
2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-propyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22044576
2-fluoro-4-[4-[(1E,3E)-penta-1,3-dienyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 22915757
2-fluoro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-1-enyl]cyclohexyl]-1-(trifluoromethyl)benzene
CID 139629397

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene (CID 162555914) is 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene is CCCC(C)C1CCC(c2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene?
The InChIKey is ZQKRGIOWRQMYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4/c1-3-4-12(2)13-5-7-14(8-6-13)15-9-10-16(17(19)11-15)18(20,21)22/h9-14H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene?
2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene has a molecular weight of 316.38 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 162555914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).