[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane

C20H34F3P — CID 142988213

IUPAC[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
SMILESCC1CCC(C2CCC(C3CCC(F)C(F)C(P)C3)C(F)C2)CC1
InChIInChI=1S/C20H34F3P/c1-12-2-4-13(5-3-12)14-6-8-16(18(22)10-14)15-7-9-17(21)20(23)19(24)11-15/h12-20H,2-11,24H2,1H3
InChIKeyPXYHNPCNOQXZHX-UHFFFAOYSA-N
MW362.46 g/mol
LogP6.29
Rot. Bonds2

About [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane

[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane (PubChem CID 142988213) has the molecular formula C20H34F3P and a molecular weight of 362.46 g/mol. Its IUPAC name is [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane.

Molecular Properties

Compound Name[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
PubChem CID142988213
Molecular FormulaC20H34F3P
Molecular Weight362.46 g/mol
Exact Mass362.24
IUPAC Name[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
SMILESCC1CCC(C2CCC(C3CCC(F)C(F)C(P)C3)C(F)C2)CC1
InChIInChI=1S/C20H34F3P/c1-12-2-4-13(5-3-12)14-6-8-16(18(22)10-14)15-7-9-17(21)20(23)19(24)11-15/h12-20H,2-11,24H2,1H3
InChIKeyPXYHNPCNOQXZHX-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2,3-difluoro-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]phosphane
CID 143002994
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
1-(4-cyclohexyl-3-fluorocyclohexyl)-2,3-difluoro-4-(4-methylcyclohexyl)cyclohexane
CID 143405112
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;methane;molecular hydrogen;dihydrate
CID 159408600
1-(3,4-dimethylcyclohexyl)-2-fluoro-4-(2-fluoro-4-methylcyclohexyl)cyclohexane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-methylcyclohexane;2-fluoro-1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;2-fluoro-4-(3-fluoro-4-methylcyclohexyl)-1-(4-methylcyclohexyl)cyclohexane;dodecahydrate
CID 158122685
2-fluoro-1-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)cyclohexyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 89094542
4-(4-butylcyclohexyl)-2-fluoro-1-(4-methylcyclohexyl)cyclohexane
CID 70911437
2-[difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]-1,3-difluoro-5-[(4R)-2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118191105
3-fluoro-4-(4-methylcyclohexyl)cyclohexan-1-ol
CID 70887654
4-[4-(3,4-difluorocyclohexyl)-3-fluorocyclohexyl]cyclohexan-1-amine
CID 70820162
[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane
CID 143940053

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane?
The IUPAC name of [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane (CID 142988213) is [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane.
What is the SMILES notation for [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane?
The canonical SMILES for [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane is CC1CCC(C2CCC(C3CCC(F)C(F)C(P)C3)C(F)C2)CC1.
What is the InChIKey of [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane?
The InChIKey is PXYHNPCNOQXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F3P/c1-12-2-4-13(5-3-12)14-6-8-16(18(22)10-14)15-7-9-17(21)20(23)19(24)11-15/h12-20H,2-11,24H2,1H3.
What are the key properties of [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane?
[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane has a molecular weight of 362.46 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane is sourced from PubChem (CID 142988213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).