dibutyl(difluoromethyl)phosphane

C9H19F2P — CID 89202863

IUPACdibutyl(difluoromethyl)phosphane
SMILESCCCCP(CCCC)C(F)F
InChIInChI=1S/C9H19F2P/c1-3-5-7-12(9(10)11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyZLXZHSLYORUMBC-UHFFFAOYSA-N
MW196.22 g/mol
LogP4.29
Rot. Bonds7

About dibutyl(difluoromethyl)phosphane

dibutyl(difluoromethyl)phosphane (PubChem CID 89202863) has the molecular formula C9H19F2P and a molecular weight of 196.22 g/mol. Its IUPAC name is dibutyl(difluoromethyl)phosphane.

Molecular Properties

Compound Namedibutyl(difluoromethyl)phosphane
PubChem CID89202863
Molecular FormulaC9H19F2P
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Namedibutyl(difluoromethyl)phosphane
SMILESCCCCP(CCCC)C(F)F
InChIInChI=1S/C9H19F2P/c1-3-5-7-12(9(10)11)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyZLXZHSLYORUMBC-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 54.29
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 dibutyl(difluoromethyl)phosphane?
The IUPAC name of dibutyl(difluoromethyl)phosphane (CID 89202863) is dibutyl(difluoromethyl)phosphane.
What is the SMILES notation for dibutyl(difluoromethyl)phosphane?
The canonical SMILES for dibutyl(difluoromethyl)phosphane is CCCCP(CCCC)C(F)F.
What is the InChIKey of dibutyl(difluoromethyl)phosphane?
The InChIKey is ZLXZHSLYORUMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2P/c1-3-5-7-12(9(10)11)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of dibutyl(difluoromethyl)phosphane?
dibutyl(difluoromethyl)phosphane has a molecular weight of 196.22 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(difluoromethyl)phosphane is sourced from PubChem (CID 89202863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).