methyl (2R)-2-amino-6,6,6-trifluorohexanoate

C7H12F3NO2 — CID 122585346

IUPACmethyl (2R)-2-amino-6,6,6-trifluorohexanoate
SMILESCOC(=O)[C@H](N)CCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-13-6(12)5(11)3-2-4-7(8,9)10/h5H,2-4,11H2,1H3/t5-/m1/s1
InChIKeyQXJMEPHGABWPST-RXMQYKEDSA-N
MW199.17 g/mol
LogP1.22
Rot. Bonds4

About methyl (2R)-2-amino-6,6,6-trifluorohexanoate

methyl (2R)-2-amino-6,6,6-trifluorohexanoate (PubChem CID 122585346) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is methyl (2R)-2-amino-6,6,6-trifluorohexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-6,6,6-trifluorohexanoate
PubChem CID122585346
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Namemethyl (2R)-2-amino-6,6,6-trifluorohexanoate
SMILESCOC(=O)[C@H](N)CCCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-13-6(12)5(11)3-2-4-7(8,9)10/h5H,2-4,11H2,1H3/t5-/m1/s1
InChIKeyQXJMEPHGABWPST-RXMQYKEDSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-amino-6,6,6-trifluorohexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-5-fluoropentanoate
CID 81106108
6,6,6-trifluoro-2-methoxycarbonylhexanoic acid
CID 103973338
methyl 2-amino-4-(trifluoromethylsulfanyl)butanoate
CID 11127699
methyl (2S)-2-aminohexanoate
CID 7018840
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl (2S)-2-aminooctanoate;2,2,2-trifluoroacetic acid
CID 25131812
ethane;methyl 2,5-diaminopentanoate
CID 142442335
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766
methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate
CID 90115107
methyl 2-amino-6-fluoro-5,5-bis(fluoromethyl)hexanoate
CID 174676834
methyl (2S)-2-aminotridecanoate
CID 88583666

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-6,6,6-trifluorohexanoate?
The IUPAC name of methyl (2R)-2-amino-6,6,6-trifluorohexanoate (CID 122585346) is methyl (2R)-2-amino-6,6,6-trifluorohexanoate.
What is the SMILES notation for methyl (2R)-2-amino-6,6,6-trifluorohexanoate?
The canonical SMILES for methyl (2R)-2-amino-6,6,6-trifluorohexanoate is COC(=O)[C@H](N)CCCC(F)(F)F.
What is the InChIKey of methyl (2R)-2-amino-6,6,6-trifluorohexanoate?
The InChIKey is QXJMEPHGABWPST-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-13-6(12)5(11)3-2-4-7(8,9)10/h5H,2-4,11H2,1H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-amino-6,6,6-trifluorohexanoate?
methyl (2R)-2-amino-6,6,6-trifluorohexanoate has a molecular weight of 199.17 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-6,6,6-trifluorohexanoate is sourced from PubChem (CID 122585346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).