bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane

C8H12F3P — CID 174900010

IUPACbis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane
SMILESC=CCP(CC=C)CC(F)(F)F
InChIInChI=1S/C8H12F3P/c1-3-5-12(6-4-2)7-8(9,10)11/h3-4H,1-2,5-7H2
InChIKeyYGASYAXIESSMFP-UHFFFAOYSA-N
MW196.15 g/mol
LogP3.40
Rot. Bonds5

About bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane

bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane (PubChem CID 174900010) has the molecular formula C8H12F3P and a molecular weight of 196.15 g/mol. Its IUPAC name is bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane.

Molecular Properties

Compound Namebis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane
PubChem CID174900010
Molecular FormulaC8H12F3P
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Namebis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane
SMILESC=CCP(CC=C)CC(F)(F)F
InChIInChI=1S/C8H12F3P/c1-3-5-12(6-4-2)7-8(9,10)11/h3-4H,1-2,5-7H2
InChIKeyYGASYAXIESSMFP-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 53.40
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 bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane?
The IUPAC name of bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane (CID 174900010) is bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane.
What is the SMILES notation for bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane?
The canonical SMILES for bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane is C=CCP(CC=C)CC(F)(F)F.
What is the InChIKey of bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane?
The InChIKey is YGASYAXIESSMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3P/c1-3-5-12(6-4-2)7-8(9,10)11/h3-4H,1-2,5-7H2.
What are the key properties of bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane?
bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane has a molecular weight of 196.15 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)-(2,2,2-trifluoroethyl)phosphane is sourced from PubChem (CID 174900010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).