2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane

C30H52F2 — CID 142486171

IUPAC2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(CCC3CCC(C4CCC(C)CC4)CC3)C(F)C2F)CC1
InChIInChI=1S/C30H52F2/c1-21-3-7-23(8-4-21)11-17-27-19-20-28(30(32)29(27)31)18-12-24-9-15-26(16-10-24)25-13-5-22(2)6-14-25/h21-30H,3-20H2,1-2H3
InChIKeyYIEPDXXIEWWIGO-UHFFFAOYSA-N
MW450.74 g/mol
LogP9.71
Rot. Bonds7

About 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane

2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane (PubChem CID 142486171) has the molecular formula C30H52F2 and a molecular weight of 450.74 g/mol. Its IUPAC name is 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
PubChem CID142486171
Molecular FormulaC30H52F2
Molecular Weight450.74 g/mol
Exact Mass450.40
IUPAC Name2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
SMILESCC1CCC(CCC2CCC(CCC3CCC(C4CCC(C)CC4)CC3)C(F)C2F)CC1
InChIInChI=1S/C30H52F2/c1-21-3-7-23(8-4-21)11-17-27-19-20-28(30(32)29(27)31)18-12-24-9-15-26(16-10-24)25-13-5-22(2)6-14-25/h21-30H,3-20H2,1-2H3
InChIKeyYIEPDXXIEWWIGO-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.74
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane with MolForge

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Related Compounds

2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;molecular hydrogen;hydrate
CID 161225778
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1,2,3-trifluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]butyl]cyclohexane
CID 142900014
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1,2-difluoro-3-(fluoromethyl)-5-[4-[4-(4-methylcyclohexyl)butyl]cyclohexyl]cyclohexane
CID 142900031
1-ethoxy-2,3-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 140565843
(2S)-1-[4-[2-(2,3-difluoro-4-methylcyclohexyl)ethyl]cyclohexyl]-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexane
CID 90437368
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
3-[2,3-difluoro-4-(4-methylcyclohexyl)cyclohexyl]propan-1-ol
CID 134271036
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The IUPAC name of 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane (CID 142486171) is 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane is CC1CCC(CCC2CCC(CCC3CCC(C4CCC(C)CC4)CC3)C(F)C2F)CC1.
What is the InChIKey of 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
The InChIKey is YIEPDXXIEWWIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52F2/c1-21-3-7-23(8-4-21)11-17-27-19-20-28(30(32)29(27)31)18-12-24-9-15-26(16-10-24)25-13-5-22(2)6-14-25/h21-30H,3-20H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane?
2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane has a molecular weight of 450.74 g/mol, XLogP of 9.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 142486171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).