[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane

C15H21F2OP — CID 143149589

IUPAC[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane
SMILESCOC1(Cc2ccc(P)c(F)c2F)CCC(C)CC1
InChIInChI=1S/C15H21F2OP/c1-10-5-7-15(18-2,8-6-10)9-11-3-4-12(19)14(17)13(11)16/h3-4,10H,5-9,19H2,1-2H3
InChIKeyQMNLXZAKJQGSIE-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.60
Rot. Bonds3

About [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane

[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane (PubChem CID 143149589) has the molecular formula C15H21F2OP and a molecular weight of 286.30 g/mol. Its IUPAC name is [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane.

Molecular Properties

Compound Name[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane
PubChem CID143149589
Molecular FormulaC15H21F2OP
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane
SMILESCOC1(Cc2ccc(P)c(F)c2F)CCC(C)CC1
InChIInChI=1S/C15H21F2OP/c1-10-5-7-15(18-2,8-6-10)9-11-3-4-12(19)14(17)13(11)16/h3-4,10H,5-9,19H2,1-2H3
InChIKeyQMNLXZAKJQGSIE-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane?
The IUPAC name of [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane (CID 143149589) is [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane.
What is the SMILES notation for [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane?
The canonical SMILES for [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane is COC1(Cc2ccc(P)c(F)c2F)CCC(C)CC1.
What is the InChIKey of [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane?
The InChIKey is QMNLXZAKJQGSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2OP/c1-10-5-7-15(18-2,8-6-10)9-11-3-4-12(19)14(17)13(11)16/h3-4,10H,5-9,19H2,1-2H3.
What are the key properties of [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane?
[2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane has a molecular weight of 286.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[(1-methoxy-4-methylcyclohexyl)methyl]phenyl]phosphane is sourced from PubChem (CID 143149589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).