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

C23H41F — CID 70911437

IUPAC4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
SMILESCCCCC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1
InChIInChI=1S/C23H41F/c1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20/h17-23H,3-16H2,1-2H3
InChIKeyISNVIICNUZWFJX-UHFFFAOYSA-N
MW336.58 g/mol
LogP7.56
Rot. Bonds5

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

4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane (PubChem CID 70911437) has the molecular formula C23H41F and a molecular weight of 336.58 g/mol. Its IUPAC name is 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
PubChem CID70911437
Molecular FormulaC23H41F
Molecular Weight336.58 g/mol
Exact Mass336.32
IUPAC Name4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
SMILESCCCCC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1
InChIInChI=1S/C23H41F/c1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20/h17-23H,3-16H2,1-2H3
InChIKeyISNVIICNUZWFJX-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.58
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
2-fluoro-1-(4-methylcyclohexyl)-4-(4-methylhexyl)cyclohexane
CID 142988239
2-fluoro-1-[4-[2-(4-fluorocyclohexyl)ethyl]cyclohexyl]-4-methylcyclohexane
CID 67890085
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
2-[(3,5-difluoro-4-methylcyclohexyl)oxy-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane
CID 159212553
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
5-[4-(4-ethylcyclohexyl)-2-fluorocyclohexyl]-1,2,3-trifluorocyclohexane
CID 88960394
3-[4-[4-[3-fluoro-4-(3,4,5-trifluorocyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]propan-1-ol
CID 88928391
1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane
CID 142900031
1-(4-ethoxycyclohexyl)-2-fluoro-4-pentylcyclohexane
CID 140706991
cis-(1R,2S)-2,3-difluoro-1-[4-[3-(2-fluoro-4-methylcyclohexyl)propyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 90437111

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane (CID 70911437) is 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane is CCCCC1CCC(C2CCC(C3CCC(C)CC3)C(F)C2)CC1.
What is the InChIKey of 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane?
The InChIKey is ISNVIICNUZWFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41F/c1-3-4-5-18-8-12-19(13-9-18)21-14-15-22(23(24)16-21)20-10-6-17(2)7-11-20/h17-23H,3-16H2,1-2H3.
What are the key properties of 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane?
4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane has a molecular weight of 336.58 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 70911437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).