2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid

C7H8F7NO2 — CID 174624341

IUPAC2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid
SMILESO=C(O)C(CF)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H8F7NO2/c8-1-4(5(16)17)15(2-6(9,10)11)3-7(12,13)14/h4H,1-3H2,(H,16,17)
InChIKeyQFHXVKWADOSEHI-UHFFFAOYSA-N
MW271.13 g/mol
LogP1.84
Rot. Bonds5

About 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid

2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid (PubChem CID 174624341) has the molecular formula C7H8F7NO2 and a molecular weight of 271.13 g/mol. Its IUPAC name is 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid
PubChem CID174624341
Molecular FormulaC7H8F7NO2
Molecular Weight271.13 g/mol
Exact Mass271.04
IUPAC Name2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid
SMILESO=C(O)C(CF)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H8F7NO2/c8-1-4(5(16)17)15(2-6(9,10)11)3-7(12,13)14/h4H,1-3H2,(H,16,17)
InChIKeyQFHXVKWADOSEHI-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(diethylamino)propanoic acid
CID 15115621
N,N-diethylalanine
CID 15115622
Diethyl-L-alanine
CID 18664197
2-[Bis(2-hydroxyethyl)amino]-3,3,3-trifluoropropanoic acid
CID 23364172
Alanine, 3-fluoro-N,N-dimethyl-
CID 45087618
2-(Dimethylamino)-3-fluoropropanoic acid
CID 55303077
2-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 61343842
2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 62626751
2,3,3,3-Tetrafluoro-2-pyrrolidin-1-ylpropanoic acid
CID 67923999
(2S)-2-(2,2,2-trifluoro-N-methylacetamido)propanoic acid
CID 94520530
2-(3,3-Difluoroazetidin-1-yl)propanoic acid
CID 121215370
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid?
The IUPAC name of 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid (CID 174624341) is 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid.
What is the SMILES notation for 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid?
The canonical SMILES for 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid is O=C(O)C(CF)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid?
The InChIKey is QFHXVKWADOSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7NO2/c8-1-4(5(16)17)15(2-6(9,10)11)3-7(12,13)14/h4H,1-3H2,(H,16,17).
What are the key properties of 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid?
2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid has a molecular weight of 271.13 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,2,2-trifluoroethyl)amino]-3-fluoropropanoic acid is sourced from PubChem (CID 174624341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).