pentyl(trifluoromethyl)phosphane

C6H12F3P — CID 21096791

IUPACpentyl(trifluoromethyl)phosphane
SMILESCCCCCPC(F)(F)F
InChIInChI=1S/C6H12F3P/c1-2-3-4-5-10-6(7,8)9/h10H,2-5H2,1H3
InChIKeyGEWSYBLMPPCROJ-UHFFFAOYSA-N
MW172.13 g/mol
LogP3.37
Rot. Bonds4

About pentyl(trifluoromethyl)phosphane

pentyl(trifluoromethyl)phosphane (PubChem CID 21096791) has the molecular formula C6H12F3P and a molecular weight of 172.13 g/mol. Its IUPAC name is pentyl(trifluoromethyl)phosphane.

Molecular Properties

Compound Namepentyl(trifluoromethyl)phosphane
PubChem CID21096791
Molecular FormulaC6H12F3P
Molecular Weight172.13 g/mol
Exact Mass172.06
IUPAC Namepentyl(trifluoromethyl)phosphane
SMILESCCCCCPC(F)(F)F
InChIInChI=1S/C6H12F3P/c1-2-3-4-5-10-6(7,8)9/h10H,2-5H2,1H3
InChIKeyGEWSYBLMPPCROJ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 53.37
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 pentyl(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 pentyl(trifluoromethyl)phosphane?
The IUPAC name of pentyl(trifluoromethyl)phosphane (CID 21096791) is pentyl(trifluoromethyl)phosphane.
What is the SMILES notation for pentyl(trifluoromethyl)phosphane?
The canonical SMILES for pentyl(trifluoromethyl)phosphane is CCCCCPC(F)(F)F.
What is the InChIKey of pentyl(trifluoromethyl)phosphane?
The InChIKey is GEWSYBLMPPCROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3P/c1-2-3-4-5-10-6(7,8)9/h10H,2-5H2,1H3.
What are the key properties of pentyl(trifluoromethyl)phosphane?
pentyl(trifluoromethyl)phosphane has a molecular weight of 172.13 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl(trifluoromethyl)phosphane is sourced from PubChem (CID 21096791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).