1,1,1-trifluoropropan-2-ylphosphane

C3H6F3P — CID 174317925

IUPAC1,1,1-trifluoropropan-2-ylphosphane
SMILESCC(P)C(F)(F)F
InChIInChI=1S/C3H6F3P/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeyPNONNJNGJMUOGO-UHFFFAOYSA-N
MW130.05 g/mol
LogP1.81
Rot. Bonds

About 1,1,1-trifluoropropan-2-ylphosphane

1,1,1-trifluoropropan-2-ylphosphane (PubChem CID 174317925) has the molecular formula C3H6F3P and a molecular weight of 130.05 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-ylphosphane.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-ylphosphane
PubChem CID174317925
Molecular FormulaC3H6F3P
Molecular Weight130.05 g/mol
Exact Mass130.02
IUPAC Name1,1,1-trifluoropropan-2-ylphosphane
SMILESCC(P)C(F)(F)F
InChIInChI=1S/C3H6F3P/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeyPNONNJNGJMUOGO-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.05
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbutan-2-ylphosphane
CID 57029329
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
CID 170180258
ethane;propan-2-ylphosphane
CID 170611311
3,3,3-trifluoro-2-methoxypropanenitrile
CID 175610097

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-ylphosphane?
The IUPAC name of 1,1,1-trifluoropropan-2-ylphosphane (CID 174317925) is 1,1,1-trifluoropropan-2-ylphosphane.
What is the SMILES notation for 1,1,1-trifluoropropan-2-ylphosphane?
The canonical SMILES for 1,1,1-trifluoropropan-2-ylphosphane is CC(P)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-ylphosphane?
The InChIKey is PNONNJNGJMUOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3P/c1-2(7)3(4,5)6/h2H,7H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-ylphosphane?
1,1,1-trifluoropropan-2-ylphosphane has a molecular weight of 130.05 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-ylphosphane is sourced from PubChem (CID 174317925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).