methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride

C10H11ClF3NO3 — CID 68701714

IUPACmethyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C10H10F3NO3.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)17-10(11,12)13;/h2-5,8H,14H2,1H3;1H
InChIKeyAKUKLRZJSVKAOF-UHFFFAOYSA-N
MW285.65 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride

methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride (PubChem CID 68701714) has the molecular formula C10H11ClF3NO3 and a molecular weight of 285.65 g/mol. Its IUPAC name is methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
PubChem CID68701714
Molecular FormulaC10H11ClF3NO3
Molecular Weight285.65 g/mol
Exact Mass285.04
IUPAC Namemethyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride
SMILESCOC(=O)C(N)c1ccc(OC(F)(F)F)cc1.Cl
InChIInChI=1S/C10H10F3NO3.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)17-10(11,12)13;/h2-5,8H,14H2,1H3;1H
InChIKeyAKUKLRZJSVKAOF-UHFFFAOYSA-N
XLogP2.18
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetate
CID 171228282
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 42957249
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;N,N,2-trideuterio-2-(deuterioamino)-2-[2,3,5,6-tetradeuterio-4-(trifluoromethoxy)phenyl]acetamide
CID 87637820
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 11608837
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
methyl (2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171210160
methyl (3R)-3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 29059481
methyl (2S)-2-amino-2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171208232
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
methyl (2S)-2-amino-2-[4-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 171211560

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride (CID 68701714) is methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride is COC(=O)C(N)c1ccc(OC(F)(F)F)cc1.Cl.
What is the InChIKey of methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride?
The InChIKey is AKUKLRZJSVKAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)17-10(11,12)13;/h2-5,8H,14H2,1H3;1H.
What are the key properties of methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride?
methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride has a molecular weight of 285.65 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[4-(trifluoromethoxy)phenyl]acetate;hydrochloride is sourced from PubChem (CID 68701714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).