1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane

C24H41F3 — CID 142900031

IUPAC1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane
SMILESCC1CCC(CCCCC2CCC(C3CC(F)C(F)C(CF)C3)CC2)CC1
InChIInChI=1S/C24H41F3/c1-17-6-8-18(9-7-17)4-2-3-5-19-10-12-20(13-11-19)21-14-22(16-25)24(27)23(26)15-21/h17-24H,2-16H2,1H3
InChIKeyMYHFMAWLOVVXJK-UHFFFAOYSA-N
MW386.59 g/mol
LogP7.85
Rot. Bonds7

About 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane

1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane (PubChem CID 142900031) has the molecular formula C24H41F3 and a molecular weight of 386.59 g/mol. Its IUPAC name is 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane
PubChem CID142900031
Molecular FormulaC24H41F3
Molecular Weight386.59 g/mol
Exact Mass386.32
IUPAC Name1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane
SMILESCC1CCC(CCCCC2CCC(C3CC(F)C(F)C(CF)C3)CC2)CC1
InChIInChI=1S/C24H41F3/c1-17-6-8-18(9-7-17)4-2-3-5-19-10-12-20(13-11-19)21-14-22(16-25)24(27)23(26)15-21/h17-24H,2-16H2,1H3
InChIKeyMYHFMAWLOVVXJK-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 142486171
4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
CID 70911437
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-(fluoromethyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 18533814
1-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
CID 122534276
[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
CID 143002994
cis-(1R,2S)-2,3-difluoro-1-[4-[3-(2-fluoro-4-methylcyclohexyl)propyl]cyclohexyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 90437111
1-[4-(7-fluorohept-4-enyl)cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 54243786
4-cyclopropyl-1-(fluoromethyl)-2-methylcyclopentane
CID 163813389

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane?
The IUPAC name of 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane (CID 142900031) is 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane is CC1CCC(CCCCC2CCC(C3CC(F)C(F)C(CF)C3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane?
The InChIKey is MYHFMAWLOVVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41F3/c1-17-6-8-18(9-7-17)4-2-3-5-19-10-12-20(13-11-19)21-14-22(16-25)24(27)23(26)15-21/h17-24H,2-16H2,1H3.
What are the key properties of 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane?
1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane has a molecular weight of 386.59 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 142900031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).