butyl(trifluoromethyl)phosphane

C5H10F3P — CID 21096689

IUPACbutyl(trifluoromethyl)phosphane
SMILESCCCCPC(F)(F)F
InChIInChI=1S/C5H10F3P/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3
InChIKeyCXEGWEHRHJVWOY-UHFFFAOYSA-N
MW158.10 g/mol
LogP2.98
Rot. Bonds3

About butyl(trifluoromethyl)phosphane

butyl(trifluoromethyl)phosphane (PubChem CID 21096689) has the molecular formula C5H10F3P and a molecular weight of 158.10 g/mol. Its IUPAC name is butyl(trifluoromethyl)phosphane.

Molecular Properties

Compound Namebutyl(trifluoromethyl)phosphane
PubChem CID21096689
Molecular FormulaC5H10F3P
Molecular Weight158.10 g/mol
Exact Mass158.05
IUPAC Namebutyl(trifluoromethyl)phosphane
SMILESCCCCPC(F)(F)F
InChIInChI=1S/C5H10F3P/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3
InChIKeyCXEGWEHRHJVWOY-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.10
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze butyl(trifluoromethyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl(trifluoromethyl)phosphane?
The IUPAC name of butyl(trifluoromethyl)phosphane (CID 21096689) is butyl(trifluoromethyl)phosphane.
What is the SMILES notation for butyl(trifluoromethyl)phosphane?
The canonical SMILES for butyl(trifluoromethyl)phosphane is CCCCPC(F)(F)F.
What is the InChIKey of butyl(trifluoromethyl)phosphane?
The InChIKey is CXEGWEHRHJVWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3P/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of butyl(trifluoromethyl)phosphane?
butyl(trifluoromethyl)phosphane has a molecular weight of 158.10 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trifluoromethyl)phosphane is sourced from PubChem (CID 21096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).