(2S)-2-amino-6,6,6-trifluorohexanoic acid

C6H10F3NO2 — CID 6992846

IUPAC(2S)-2-amino-6,6,6-trifluorohexanoic acid
SMILESN[C@@H](CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1
InChIKeyRUEWGWBXZIDRJY-BYPYZUCNSA-N
MW185.14 g/mol
LogP1.13
Rot. Bonds4

About (2S)-2-amino-6,6,6-trifluorohexanoic acid

(2S)-2-amino-6,6,6-trifluorohexanoic acid (PubChem CID 6992846) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is (2S)-2-amino-6,6,6-trifluorohexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6,6,6-trifluorohexanoic acid
PubChem CID6992846
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name(2S)-2-amino-6,6,6-trifluorohexanoic acid
SMILESN[C@@H](CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1
InChIKeyRUEWGWBXZIDRJY-BYPYZUCNSA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Lysine
CID 5962
Caprine
CID 21236
Lysine, DL-
CID 866
L-Lysine monohydrochloride
CID 69568
D-Lysine
CID 57449
Lysine hydrochloride, DL-
CID 12047
Lysine hydrochloride, D-
CID 81691
Norleucine, D-(-)-
CID 456468
Norleucine, (+-)-
CID 9475
L-lysinium(2+)
CID 5460925
Lysine Monohydrate
CID 16211825
5-Fluoronorvaline
CID 101662

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6,6,6-trifluorohexanoic acid?
The IUPAC name of (2S)-2-amino-6,6,6-trifluorohexanoic acid (CID 6992846) is (2S)-2-amino-6,6,6-trifluorohexanoic acid.
What is the SMILES notation for (2S)-2-amino-6,6,6-trifluorohexanoic acid?
The canonical SMILES for (2S)-2-amino-6,6,6-trifluorohexanoic acid is N[C@@H](CCCC(F)(F)F)C(=O)O.
What is the InChIKey of (2S)-2-amino-6,6,6-trifluorohexanoic acid?
The InChIKey is RUEWGWBXZIDRJY-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)3-1-2-4(10)5(11)12/h4H,1-3,10H2,(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-6,6,6-trifluorohexanoic acid?
(2S)-2-amino-6,6,6-trifluorohexanoic acid has a molecular weight of 185.14 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6,6,6-trifluorohexanoic acid is sourced from PubChem (CID 6992846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).