1,2-difluoro-N-(trifluoromethyl)ethanamine

C3H4F5N — CID 174358007

IUPAC1,2-difluoro-N-(trifluoromethyl)ethanamine
SMILESFCC(F)NC(F)(F)F
InChIInChI=1S/C3H4F5N/c4-1-2(5)9-3(6,7)8/h2,9H,1H2
InChIKeyREFKIKWIMXVRSB-UHFFFAOYSA-N
MW149.06 g/mol
LogP1.36
Rot. Bonds2

About 1,2-difluoro-N-(trifluoromethyl)ethanamine

1,2-difluoro-N-(trifluoromethyl)ethanamine (PubChem CID 174358007) has the molecular formula C3H4F5N and a molecular weight of 149.06 g/mol. Its IUPAC name is 1,2-difluoro-N-(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name1,2-difluoro-N-(trifluoromethyl)ethanamine
PubChem CID174358007
Molecular FormulaC3H4F5N
Molecular Weight149.06 g/mol
Exact Mass149.03
IUPAC Name1,2-difluoro-N-(trifluoromethyl)ethanamine
SMILESFCC(F)NC(F)(F)F
InChIInChI=1S/C3H4F5N/c4-1-2(5)9-3(6,7)8/h2,9H,1H2
InChIKeyREFKIKWIMXVRSB-UHFFFAOYSA-N
XLogP1.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.06
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine
CID 166858336
2-chloro-1-(trifluoromethylamino)ethanesulfinic acid
CID 174926251
1-(trifluoromethylamino)ethanol
CID 154201971
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
(2S)-2-(trifluoromethylamino)butanedioic acid
CID 89310094
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
(2S)-4-sulfanyl-2-(trifluoromethylamino)butanoic acid
CID 54534650
1,1,2,2,3-pentafluoro-N-propan-2-ylpropan-1-amine
CID 151566356
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
1,1,1,4,4,4-hexafluoro-2-(fluoromethyl)butane
CID 15044638

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-N-(trifluoromethyl)ethanamine?
The IUPAC name of 1,2-difluoro-N-(trifluoromethyl)ethanamine (CID 174358007) is 1,2-difluoro-N-(trifluoromethyl)ethanamine.
What is the SMILES notation for 1,2-difluoro-N-(trifluoromethyl)ethanamine?
The canonical SMILES for 1,2-difluoro-N-(trifluoromethyl)ethanamine is FCC(F)NC(F)(F)F.
What is the InChIKey of 1,2-difluoro-N-(trifluoromethyl)ethanamine?
The InChIKey is REFKIKWIMXVRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F5N/c4-1-2(5)9-3(6,7)8/h2,9H,1H2.
What are the key properties of 1,2-difluoro-N-(trifluoromethyl)ethanamine?
1,2-difluoro-N-(trifluoromethyl)ethanamine has a molecular weight of 149.06 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-N-(trifluoromethyl)ethanamine is sourced from PubChem (CID 174358007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).