[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane

C25H43F2P — CID 143002994

IUPAC[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
SMILESCC1CCC(C2CCC(C3CCC(C4CC(F)C(F)C(P)C4)CC3)CC2)CC1
InChIInChI=1S/C25H43F2P/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-23(26)25(27)24(28)15-22/h16-25H,2-15,28H2,1H3
InChIKeyREWZXTAFUHKEMA-UHFFFAOYSA-N
MW412.59 g/mol
LogP7.76
Rot. Bonds3

About [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane

[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane (PubChem CID 143002994) has the molecular formula C25H43F2P and a molecular weight of 412.59 g/mol. Its IUPAC name is [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane.

Molecular Properties

Compound Name[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
PubChem CID143002994
Molecular FormulaC25H43F2P
Molecular Weight412.59 g/mol
Exact Mass412.31
IUPAC Name[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
SMILESCC1CCC(C2CCC(C3CCC(C4CC(F)C(F)C(P)C4)CC3)CC2)CC1
InChIInChI=1S/C25H43F2P/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-23(26)25(27)24(28)15-22/h16-25H,2-15,28H2,1H3
InChIKeyREWZXTAFUHKEMA-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.59
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane with MolForge

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Related Compounds

1-[4-(5-Fluoropentyl)cyclohexyl]-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexane
CID 17764911
2,3-Difluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 20594855
2-Fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 20594859
1-[2,3-Difluoro-4-(4-methylcyclohexyl)cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 20645947
2,3-Difluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 20645955
1,2,3-Trifluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
CID 20810906
1,3-Difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-2-methylcyclohexane
CID 20810909
1,2-Difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 22964522
1,2,3-Trifluoro-5-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 23399380
1,2-Difluoro-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 23399381
2-Fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane
CID 53874590
1-[4-(Fluoromethyl)cyclohexyl]-4-[4-(4-fluorononyl)cyclohexyl]cyclohexane
CID 53893049

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane?
The IUPAC name of [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane (CID 143002994) is [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane.
What is the SMILES notation for [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane?
The canonical SMILES for [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane is CC1CCC(C2CCC(C3CCC(C4CC(F)C(F)C(P)C4)CC3)CC2)CC1.
What is the InChIKey of [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane?
The InChIKey is REWZXTAFUHKEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43F2P/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-23(26)25(27)24(28)15-22/h16-25H,2-15,28H2,1H3.
What are the key properties of [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane?
[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane has a molecular weight of 412.59 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane is sourced from PubChem (CID 143002994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).