2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane

C20H37F — CID 142988239

IUPAC2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane
SMILESCCC(C)CCCC1CCC(C2CCC(C)CC2)C(F)C1
InChIInChI=1S/C20H37F/c1-4-15(2)6-5-7-17-10-13-19(20(21)14-17)18-11-8-16(3)9-12-18/h15-20H,4-14H2,1-3H3
InChIKeyOIUDKSXZGKIION-UHFFFAOYSA-N
MW296.51 g/mol
LogP6.78
Rot. Bonds6

About 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane

2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane (PubChem CID 142988239) has the molecular formula C20H37F and a molecular weight of 296.51 g/mol. Its IUPAC name is 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane.

Molecular Properties

Compound Name2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane
PubChem CID142988239
Molecular FormulaC20H37F
Molecular Weight296.51 g/mol
Exact Mass296.29
IUPAC Name2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane
SMILESCCC(C)CCCC1CCC(C2CCC(C)CC2)C(F)C1
InChIInChI=1S/C20H37F/c1-4-15(2)6-5-7-17-10-13-19(20(21)14-17)18-11-8-16(3)9-12-18/h15-20H,4-14H2,1-3H3
InChIKeyOIUDKSXZGKIION-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.51
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trifluoro-5-[2-fluoro-4-(4-methylheptyl)cyclohexyl]cyclohexane
CID 88850023
4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
CID 70911437
1-(4-ethoxycyclohexyl)-2-fluoro-4-pentylcyclohexane
CID 140706991
1-chloro-2-fluoro-4-(4-methylheptyl)cyclohexane
CID 90137028
2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane
CID 67890085
2-fluoro-1-(4-fluorocyclohexyl)-4-(5-methylheptan-2-yl)cyclohexane
CID 71027248
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
7-methylnonylcyclopropane
CID 123906260
(3S)-1-cyclohexyl-2,3-difluoro-4-[2-[4-(2-fluoro-4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 90437163
1-cyclohexyl-4-methylcyclohexane;1-methyl-2-(4-methylhexyl)cyclohexane
CID 143825239
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
1-[2-[4-(4-ethyl-2-fluorocyclohexyl)cyclohexyl]ethyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437161

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane?
The IUPAC name of 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane (CID 142988239) is 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane.
What is the SMILES notation for 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane?
The canonical SMILES for 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane is CCC(C)CCCC1CCC(C2CCC(C)CC2)C(F)C1.
What is the InChIKey of 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane?
The InChIKey is OIUDKSXZGKIION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F/c1-4-15(2)6-5-7-17-10-13-19(20(21)14-17)18-11-8-16(3)9-12-18/h15-20H,4-14H2,1-3H3.
What are the key properties of 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane?
2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane has a molecular weight of 296.51 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane is sourced from PubChem (CID 142988239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).