benzyl(2,4-difluorobutyl)phosphane

C11H15F2P — CID 69485778

IUPACbenzyl(2,4-difluorobutyl)phosphane
SMILESFCCC(F)CPCc1ccccc1
InChIInChI=1S/C11H15F2P/c12-7-6-11(13)9-14-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyZDYDCPWNZFPZBQ-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.56
Rot. Bonds6

About benzyl(2,4-difluorobutyl)phosphane

benzyl(2,4-difluorobutyl)phosphane (PubChem CID 69485778) has the molecular formula C11H15F2P and a molecular weight of 216.21 g/mol. Its IUPAC name is benzyl(2,4-difluorobutyl)phosphane.

Molecular Properties

Compound Namebenzyl(2,4-difluorobutyl)phosphane
PubChem CID69485778
Molecular FormulaC11H15F2P
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Namebenzyl(2,4-difluorobutyl)phosphane
SMILESFCCC(F)CPCc1ccccc1
InChIInChI=1S/C11H15F2P/c12-7-6-11(13)9-14-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyZDYDCPWNZFPZBQ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.56
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

dibenzylphosphane;dichloropalladium;iron
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(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of benzyl(2,4-difluorobutyl)phosphane?
The IUPAC name of benzyl(2,4-difluorobutyl)phosphane (CID 69485778) is benzyl(2,4-difluorobutyl)phosphane.
What is the SMILES notation for benzyl(2,4-difluorobutyl)phosphane?
The canonical SMILES for benzyl(2,4-difluorobutyl)phosphane is FCCC(F)CPCc1ccccc1.
What is the InChIKey of benzyl(2,4-difluorobutyl)phosphane?
The InChIKey is ZDYDCPWNZFPZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2P/c12-7-6-11(13)9-14-8-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2.
What are the key properties of benzyl(2,4-difluorobutyl)phosphane?
benzyl(2,4-difluorobutyl)phosphane has a molecular weight of 216.21 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(2,4-difluorobutyl)phosphane is sourced from PubChem (CID 69485778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).