hexyl(trifluoromethyl)phosphane

C7H14F3P — CID 21096780

IUPAChexyl(trifluoromethyl)phosphane
SMILESCCCCCCPC(F)(F)F
InChIInChI=1S/C7H14F3P/c1-2-3-4-5-6-11-7(8,9)10/h11H,2-6H2,1H3
InChIKeyPODCVXOJDORDSA-UHFFFAOYSA-N
MW186.16 g/mol
LogP3.77
Rot. Bonds5

About hexyl(trifluoromethyl)phosphane

hexyl(trifluoromethyl)phosphane (PubChem CID 21096780) has the molecular formula C7H14F3P and a molecular weight of 186.16 g/mol. Its IUPAC name is hexyl(trifluoromethyl)phosphane.

Molecular Properties

Compound Namehexyl(trifluoromethyl)phosphane
PubChem CID21096780
Molecular FormulaC7H14F3P
Molecular Weight186.16 g/mol
Exact Mass186.08
IUPAC Namehexyl(trifluoromethyl)phosphane
SMILESCCCCCCPC(F)(F)F
InChIInChI=1S/C7H14F3P/c1-2-3-4-5-6-11-7(8,9)10/h11H,2-6H2,1H3
InChIKeyPODCVXOJDORDSA-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 53.77
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'}

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Frequently Asked Questions

What is the IUPAC name of hexyl(trifluoromethyl)phosphane?
The IUPAC name of hexyl(trifluoromethyl)phosphane (CID 21096780) is hexyl(trifluoromethyl)phosphane.
What is the SMILES notation for hexyl(trifluoromethyl)phosphane?
The canonical SMILES for hexyl(trifluoromethyl)phosphane is CCCCCCPC(F)(F)F.
What is the InChIKey of hexyl(trifluoromethyl)phosphane?
The InChIKey is PODCVXOJDORDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3P/c1-2-3-4-5-6-11-7(8,9)10/h11H,2-6H2,1H3.
What are the key properties of hexyl(trifluoromethyl)phosphane?
hexyl(trifluoromethyl)phosphane has a molecular weight of 186.16 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl(trifluoromethyl)phosphane is sourced from PubChem (CID 21096780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).