2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene

C24H44F2O — CID 144922818

IUPAC2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
SMILESC=CC.CC.CC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C19H32F2O.C3H6.C2H6/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;1-3-2;1-2/h12-19,22H,2-11H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyLPMWCAVBLZFNHI-UHFFFAOYSA-N
MW386.61 g/mol
LogP7.28
Rot. Bonds2

About 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene

2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene (PubChem CID 144922818) has the molecular formula C24H44F2O and a molecular weight of 386.61 g/mol. Its IUPAC name is 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene.

Molecular Properties

Compound Name2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
PubChem CID144922818
Molecular FormulaC24H44F2O
Molecular Weight386.61 g/mol
Exact Mass386.34
IUPAC Name2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
SMILESC=CC.CC.CC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C19H32F2O.C3H6.C2H6/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;1-3-2;1-2/h12-19,22H,2-11H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyLPMWCAVBLZFNHI-UHFFFAOYSA-N
XLogP7.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene with MolForge

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Related Compounds

4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 89059440
4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 138663959
4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol
CID 138663744
2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 142486175
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-prop-2-enylcyclohexane;molecular hydrogen;hydrate
CID 159079848
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160840388
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;octahydrate
CID 160792991
bis(1-(2,3-difluoro-4-methylcyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane);tetrakis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane);molecular hydrogen;decahydrate
CID 162010835
2,3-difluoro-1-(4-methylcyclohexyl)-4-prop-1-en-2-yloxycyclohexane
CID 20645957
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
CID 144631307
2,3-difluoro-1-(4-methylcyclohexyl)-4-(5-methylhexan-2-yl)cyclohexane;ethane
CID 145325236
2,3-difluoro-4-[4-[(4-sulfanylcyclohexyl)methyl]cyclohexyl]cyclohexan-1-ol
CID 138567306

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene?
The IUPAC name of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene (CID 144922818) is 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene.
What is the SMILES notation for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene?
The canonical SMILES for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene is C=CC.CC.CC1CCC(C2CCC(C3CCC(O)C(F)C3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene?
The InChIKey is LPMWCAVBLZFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2O.C3H6.C2H6/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;1-3-2;1-2/h12-19,22H,2-11H2,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene?
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene has a molecular weight of 386.61 g/mol, XLogP of 7.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene is sourced from PubChem (CID 144922818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).