[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane

C20H36FP — CID 143940053

IUPAC[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane
SMILESCC1CCC(C2CCC(C3CC(C)C(P)C(F)C3)CC2)CC1
InChIInChI=1S/C20H36FP/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-14(2)20(22)19(21)12-18/h13-20H,3-12,22H2,1-2H3
InChIKeyFQYYLMNICPWCCH-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.25
Rot. Bonds2

About [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane

[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane (PubChem CID 143940053) has the molecular formula C20H36FP and a molecular weight of 326.48 g/mol. Its IUPAC name is [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane.

Molecular Properties

Compound Name[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane
PubChem CID143940053
Molecular FormulaC20H36FP
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane
SMILESCC1CCC(C2CCC(C3CC(C)C(P)C(F)C3)CC2)CC1
InChIInChI=1S/C20H36FP/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-14(2)20(22)19(21)12-18/h13-20H,3-12,22H2,1-2H3
InChIKeyFQYYLMNICPWCCH-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.25
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

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
[2,6-difluoro-4-(4-methylcyclohexyl)cyclohexyl]-pentafluoro-λ6-sulfane
CID 89390369
3-[2-fluoro-6-methyl-4-(4-methylcyclohexyl)cyclohexyl]prop-2-ynenitrile
CID 59079145
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
2-fluoro-1,4-bis(4-methylcyclohexyl)cyclohexane;methane;trihydrate
CID 158971717
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane;methane;molecular hydrogen;dihydrate
CID 159408600
[2,3-difluoro-6-[2-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cycloheptyl]phosphane
CID 142988213
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
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

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane?
The IUPAC name of [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane (CID 143940053) is [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane.
What is the SMILES notation for [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane?
The canonical SMILES for [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane is CC1CCC(C2CCC(C3CC(C)C(P)C(F)C3)CC2)CC1.
What is the InChIKey of [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane?
The InChIKey is FQYYLMNICPWCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FP/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)18-11-14(2)20(22)19(21)12-18/h13-20H,3-12,22H2,1-2H3.
What are the key properties of [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane?
[2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane has a molecular weight of 326.48 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]phosphane is sourced from PubChem (CID 143940053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).