1,1,1-trifluoropropan-2-imine

C3H4F3N — CID 15353570

IUPAC1,1,1-trifluoropropan-2-imine
SMILES[H]/N=C(\C)C(F)(F)F
InChIInChI=1S/C3H4F3N/c1-2(7)3(4,5)6/h7H,1H3/b7-2+
InChIKeyQPTPMOAKPGKUDN-FARCUNLSSA-N
MW111.07 g/mol
LogP1.59
Rot. Bonds

About 1,1,1-trifluoropropan-2-imine

1,1,1-trifluoropropan-2-imine (PubChem CID 15353570) has the molecular formula C3H4F3N and a molecular weight of 111.07 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-imine
PubChem CID15353570
Molecular FormulaC3H4F3N
Molecular Weight111.07 g/mol
Exact Mass111.03
IUPAC Name1,1,1-trifluoropropan-2-imine
SMILES[H]/N=C(\C)C(F)(F)F
InChIInChI=1S/C3H4F3N/c1-2(7)3(4,5)6/h7H,1H3/b7-2+
InChIKeyQPTPMOAKPGKUDN-FARCUNLSSA-N
XLogP1.59
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.07
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-imine?
The IUPAC name of 1,1,1-trifluoropropan-2-imine (CID 15353570) is 1,1,1-trifluoropropan-2-imine.
What is the SMILES notation for 1,1,1-trifluoropropan-2-imine?
The canonical SMILES for 1,1,1-trifluoropropan-2-imine is [H]/N=C(\C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-imine?
The InChIKey is QPTPMOAKPGKUDN-FARCUNLSSA-N. The full InChI is InChI=1S/C3H4F3N/c1-2(7)3(4,5)6/h7H,1H3/b7-2+.
What are the key properties of 1,1,1-trifluoropropan-2-imine?
1,1,1-trifluoropropan-2-imine has a molecular weight of 111.07 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-imine is sourced from PubChem (CID 15353570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).