(2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid

C6H10F3NO2 — CID 11745320

IUPAC(2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid
SMILESCCC(C(=O)O)[C@@H](N)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3(5(11)12)4(10)6(7,8)9/h3-4H,2,10H2,1H3,(H,11,12)/t3?,4-/m1/s1
InChIKeyGPBZNVAFQNKDNP-SRBOSORUSA-N
MW185.14 g/mol
LogP0.99
Rot. Bonds3

About (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid

(2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid (PubChem CID 11745320) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid
PubChem CID11745320
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid
SMILESCCC(C(=O)O)[C@@H](N)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3(5(11)12)4(10)6(7,8)9/h3-4H,2,10H2,1H3,(H,11,12)/t3?,4-/m1/s1
InChIKeyGPBZNVAFQNKDNP-SRBOSORUSA-N
XLogP0.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid?
The IUPAC name of (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid (CID 11745320) is (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid?
The canonical SMILES for (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid is CCC(C(=O)O)[C@@H](N)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid?
The InChIKey is GPBZNVAFQNKDNP-SRBOSORUSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-3(5(11)12)4(10)6(7,8)9/h3-4H,2,10H2,1H3,(H,11,12)/t3?,4-/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid?
(2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid has a molecular weight of 185.14 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 11745320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).