(1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane

C7H13F2P — CID 155223145

IUPAC(1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane
SMILESC=C(C(C)(C)C)C(F)(F)P
InChIInChI=1S/C7H13F2P/c1-5(6(2,3)4)7(8,9)10/h1,10H2,2-4H3
InChIKeyPCTRQKDCDRHJEY-UHFFFAOYSA-N
MW166.15 g/mol
LogP3.06
Rot. Bonds1

About (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane

(1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane (PubChem CID 155223145) has the molecular formula C7H13F2P and a molecular weight of 166.15 g/mol. Its IUPAC name is (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane.

Molecular Properties

Compound Name(1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane
PubChem CID155223145
Molecular FormulaC7H13F2P
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane
SMILESC=C(C(C)(C)C)C(F)(F)P
InChIInChI=1S/C7H13F2P/c1-5(6(2,3)4)7(8,9)10/h1,10H2,2-4H3
InChIKeyPCTRQKDCDRHJEY-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane?
The IUPAC name of (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane (CID 155223145) is (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane.
What is the SMILES notation for (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane?
The canonical SMILES for (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane is C=C(C(C)(C)C)C(F)(F)P.
What is the InChIKey of (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane?
The InChIKey is PCTRQKDCDRHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2P/c1-5(6(2,3)4)7(8,9)10/h1,10H2,2-4H3.
What are the key properties of (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane?
(1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane has a molecular weight of 166.15 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane is sourced from PubChem (CID 155223145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).