3,3,3-trifluoropropan-1-amine

C3H6F3N — CID 10001

IUPAC3,3,3-trifluoropropan-1-amine
SMILESNCCC(F)(F)F
InChIInChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKeyNGZVNONVXYLYQW-UHFFFAOYSA-N
MW113.08 g/mol
LogP0.90
Rot. Bonds1

About 3,3,3-trifluoropropan-1-amine

3,3,3-trifluoropropan-1-amine (PubChem CID 10001) has the molecular formula C3H6F3N and a molecular weight of 113.08 g/mol. Its IUPAC name is 3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoropropan-1-amine
PubChem CID10001
Molecular FormulaC3H6F3N
Molecular Weight113.08 g/mol
Exact Mass113.05
IUPAC Name3,3,3-trifluoropropan-1-amine
SMILESNCCC(F)(F)F
InChIInChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2
InChIKeyNGZVNONVXYLYQW-UHFFFAOYSA-N
XLogP0.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

2,2,2-Trifluoroethylamine hydrochloride
CID 9772
Ethanamine, 2,2,2-trifluoro-
CID 9773
3-Fluoropropan-1-amine
CID 10019
2,2-Difluoroethanamine
CID 136274
4,4,4-Trifluorobutylamine
CID 136645
2,2,3,3,3-Pentafluoropropylamine
CID 79002
1,1,1-Trifluoro-2-propanamine
CID 3783165
2,2-Difluoroethan-1-amine hydrochloride
CID 18352163
3,3,3-Trifluoropropylamine hydrochloride
CID 25210505
2,2,2-Trifluoroethylazanium;chloride
CID 10931477
(2R)-1,1,1-Trifluoro-2-propanamine
CID 10964446
1,3-Difluoropropan-2-amine
CID 13591654

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropan-1-amine?
The IUPAC name of 3,3,3-trifluoropropan-1-amine (CID 10001) is 3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 3,3,3-trifluoropropan-1-amine is NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropan-1-amine?
The InChIKey is NGZVNONVXYLYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3N/c4-3(5,6)1-2-7/h1-2,7H2.
What are the key properties of 3,3,3-trifluoropropan-1-amine?
3,3,3-trifluoropropan-1-amine has a molecular weight of 113.08 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 10001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).