1,1,1-trifluoropropan-2-amine

C3H6F3N — CID 3783165

IUPAC1,1,1-trifluoropropan-2-amine
SMILESCC(N)C(F)(F)F
InChIInChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeySNMLKBMPULDPTA-UHFFFAOYSA-N
MW113.08 g/mol
LogP0.90
Rot. Bonds

About 1,1,1-trifluoropropan-2-amine

1,1,1-trifluoropropan-2-amine (PubChem CID 3783165) has the molecular formula C3H6F3N and a molecular weight of 113.08 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-amine
PubChem CID3783165
Molecular FormulaC3H6F3N
Molecular Weight113.08 g/mol
Exact Mass113.05
IUPAC Name1,1,1-trifluoropropan-2-amine
SMILESCC(N)C(F)(F)F
InChIInChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3
InChIKeySNMLKBMPULDPTA-UHFFFAOYSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.08
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-Trifluoropropylamine
CID 10001
1,1,1-Trifluorobutan-2-amine
CID 3743706
2-Propanamine, 1-fluoro-, (2S)-
CID 11851334
(R)-2-Amino-1,1,1-trifluoropropane hydrochloride
CID 44593757
(2R)-1,1,1-Trifluoro-2-propanamine
CID 10964446
2-Propanamine, 1,1,1-trifluoro-, hydrochloride (1:1), (2S)-
CID 13093919
1,3-Difluoropropan-2-amine
CID 13591654
1,1,1-Trifluorobutan-2-amine hydrochloride
CID 13620730
(2S)-1,1,1-trifluorobutan-2-amine hydrochloride
CID 13620733
(RS)-2-Amino-1,1,1-trifluoropropane hydrochloride
CID 18364314
(R)-1,1,1-Trifluorobutan-2-amine
CID 40527678
(2R)-1,1,1-trifluorobutan-2-amine hydrochloride
CID 44889673

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-amine?
The IUPAC name of 1,1,1-trifluoropropan-2-amine (CID 3783165) is 1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 1,1,1-trifluoropropan-2-amine is CC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-amine?
The InChIKey is SNMLKBMPULDPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-amine?
1,1,1-trifluoropropan-2-amine has a molecular weight of 113.08 g/mol, XLogP of 0.90, 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-amine is sourced from PubChem (CID 3783165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).