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

C10H15F6NO2 — CID 54348715

IUPAC(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-8(2,3)6(7(18)19)17(4-9(11,12)13)5-10(14,15)16/h6H,4-5H2,1-3H3,(H,18,19)/t6-/m1/s1
InChIKeyUEDQDOPQYRAEKG-ZCFIWIBFSA-N
MW295.22 g/mol
LogP2.91
Rot. Bonds4

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

(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 54348715) has the molecular formula C10H15F6NO2 and a molecular weight of 295.22 g/mol. Its IUPAC name is (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid
PubChem CID54348715
Molecular FormulaC10H15F6NO2
Molecular Weight295.22 g/mol
Exact Mass295.10
IUPAC Name(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C10H15F6NO2/c1-8(2,3)6(7(18)19)17(4-9(11,12)13)5-10(14,15)16/h6H,4-5H2,1-3H3,(H,18,19)/t6-/m1/s1
InChIKeyUEDQDOPQYRAEKG-ZCFIWIBFSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 22885074
(2R)-2-(dimethylamino)-3,3-dimethylbutanoic acid
CID 92534057
(2S)-2-[bis(2-fluoroethyl)amino]-3-methylbutanoic acid
CID 54143768
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 61325174
2-[Bis(2-fluoroethyl)amino]-3-methylbutanoic acid
CID 76106701
(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 118624256
(2S)-2-[methyl(1,1,1-trifluorobutan-2-yl)amino]propanoic acid
CID 134423882
(2S)-3-methyl-2-(2,2,2-trifluoro-N-methylacetamido)butanoic acid
CID 141456004
3,3-Dimethyl-2-(1,1,1-trifluoropropan-2-ylamino)butanoic acid
CID 167481691
2-[Ethyl(methyl)amino]-4,4-difluorobutanoic acid
CID 169911819
3,3-Dimethyl-2-(trifluoromethylamino)butanoic acid
CID 174628567
3-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60891954

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid (CID 54348715) is (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](C(=O)O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is UEDQDOPQYRAEKG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15F6NO2/c1-8(2,3)6(7(18)19)17(4-9(11,12)13)5-10(14,15)16/h6H,4-5H2,1-3H3,(H,18,19)/t6-/m1/s1.
What are the key properties of (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid?
(2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 295.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(2,2,2-trifluoroethyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 54348715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).