methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate

C7H12F3NO3 — CID 90115107

IUPACmethyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate
SMILESCOC(=O)C(N)CCC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-14-6(13)4(11)2-3-5(12)7(8,9)10/h4-5,12H,2-3,11H2,1H3
InChIKeyFFVQTKISCYJZGU-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.19
Rot. Bonds4

About methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate

methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate (PubChem CID 90115107) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate
PubChem CID90115107
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate
SMILESCOC(=O)C(N)CCC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-14-6(13)4(11)2-3-5(12)7(8,9)10/h4-5,12H,2-3,11H2,1H3
InChIKeyFFVQTKISCYJZGU-UHFFFAOYSA-N
XLogP0.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
methyl (2S)-2-amino-5,5,5-trifluoro-4-(trifluoromethyl)pentanoate;hydrochloride
CID 44717556
methyl 2-amino-4-(trifluoromethylsulfanyl)butanoate
CID 11127699
methyl 2-amino-4,4,4-trifluorobutanoate;hydrochloride
CID 44717559
methyl 2-aminopentanoate
CID 533890
methyl 2-amino-5-fluoropentanoate
CID 81106108
methyl 4,4,4-trifluoro-2-(trifluoromethyl)butanoate
CID 23236316
methyl (2R)-2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
CID 170911098
methyl 2-amino-6-fluoro-5,5-bis(fluoromethyl)hexanoate
CID 174676834
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate?
The IUPAC name of methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate (CID 90115107) is methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate.
What is the SMILES notation for methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate?
The canonical SMILES for methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate is COC(=O)C(N)CCC(O)C(F)(F)F.
What is the InChIKey of methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate?
The InChIKey is FFVQTKISCYJZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-14-6(13)4(11)2-3-5(12)7(8,9)10/h4-5,12H,2-3,11H2,1H3.
What are the key properties of methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate?
methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate has a molecular weight of 215.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6,6,6-trifluoro-5-hydroxyhexanoate is sourced from PubChem (CID 90115107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).