[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane

C12H16F3P — CID 162549759

IUPAC[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane
SMILESCCc1ccc(C(C)(F)F)cc1C(C)(F)P
InChIInChI=1S/C12H16F3P/c1-4-8-5-6-9(11(2,13)14)7-10(8)12(3,15)16/h5-7H,4,16H2,1-3H3
InChIKeyBIDNHPHRJQWTOT-UHFFFAOYSA-N
MW248.23 g/mol
LogP4.38
Rot. Bonds3

About [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane

[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane (PubChem CID 162549759) has the molecular formula C12H16F3P and a molecular weight of 248.23 g/mol. Its IUPAC name is [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane.

Molecular Properties

Compound Name[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane
PubChem CID162549759
Molecular FormulaC12H16F3P
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane
SMILESCCc1ccc(C(C)(F)F)cc1C(C)(F)P
InChIInChI=1S/C12H16F3P/c1-4-8-5-6-9(11(2,13)14)7-10(8)12(3,15)16/h5-7H,4,16H2,1-3H3
InChIKeyBIDNHPHRJQWTOT-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane?
The IUPAC name of [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane (CID 162549759) is [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane.
What is the SMILES notation for [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane?
The canonical SMILES for [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane is CCc1ccc(C(C)(F)F)cc1C(C)(F)P.
What is the InChIKey of [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane?
The InChIKey is BIDNHPHRJQWTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3P/c1-4-8-5-6-9(11(2,13)14)7-10(8)12(3,15)16/h5-7H,4,16H2,1-3H3.
What are the key properties of [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane?
[1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane has a molecular weight of 248.23 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(1,1-difluoroethyl)-2-ethylphenyl]-1-fluoroethyl]phosphane is sourced from PubChem (CID 162549759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).