1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one

C10H10F3NO2 — CID 138110122

IUPAC1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
SMILESCC(=O)C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2/c1-6(15)9(14)7-3-2-4-8(5-7)16-10(11,12)13/h2-5,9H,14H2,1H3
InChIKeyGSXANPKYGJVITP-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.17
Rot. Bonds3

About 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one

1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one (PubChem CID 138110122) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one.

Molecular Properties

Compound Name1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
PubChem CID138110122
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
SMILESCC(=O)C(N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO2/c1-6(15)9(14)7-3-2-4-8(5-7)16-10(11,12)13/h2-5,9H,14H2,1H3
InChIKeyGSXANPKYGJVITP-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
2-amino-4-[3-(trifluoromethoxy)phenyl]hexanoic acid
CID 174512632
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107104802
(1R)-2,2,2-trideuterio-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 156699931
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one?
The IUPAC name of 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one (CID 138110122) is 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one.
What is the SMILES notation for 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one?
The canonical SMILES for 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one is CC(=O)C(N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one?
The InChIKey is GSXANPKYGJVITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6(15)9(14)7-3-2-4-8(5-7)16-10(11,12)13/h2-5,9H,14H2,1H3.
What are the key properties of 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one?
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one has a molecular weight of 233.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one is sourced from PubChem (CID 138110122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).