2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride

C12H13ClF3NO2 — CID 167434690

IUPAC2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.NCC(=O)c1cc(C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C12H12F3NO2.ClH/c13-12(14,15)7-1-4-11(18-8-2-3-8)9(5-7)10(17)6-16;/h1,4-5,8H,2-3,6,16H2;1H
InChIKeyYURSZMPVNZZCBN-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride

2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride (PubChem CID 167434690) has the molecular formula C12H13ClF3NO2 and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
PubChem CID167434690
Molecular FormulaC12H13ClF3NO2
Molecular Weight295.69 g/mol
Exact Mass295.06
IUPAC Name2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.NCC(=O)c1cc(C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C12H12F3NO2.ClH/c13-12(14,15)7-1-4-11(18-8-2-3-8)9(5-7)10(17)6-16;/h1,4-5,8H,2-3,6,16H2;1H
InChIKeyYURSZMPVNZZCBN-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
CID 62808321
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
2-[[(1R,5R)-9-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl]oxy]-5-(trifluoromethyl)benzamide
CID 53378578
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591546
2-(oxetan-3-yloxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 102606341
2-(3-chloro-4-cyclopropyloxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172649191
2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride
CID 169186429
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
[4-[2-fluoro-4-(trifluoromethyl)phenoxy]cyclohexyl] 3-amino-3-(hydroxymethyl)azetidine-1-carboxylate
CID 162617222
2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
CID 114157343
2-(oxan-4-yloxy)-5-(trifluoromethyl)aniline
CID 61269565
2-cyclohexyloxy-4-(trifluoromethyl)aniline
CID 162679508

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride (CID 167434690) is 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride is Cl.NCC(=O)c1cc(C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The InChIKey is YURSZMPVNZZCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2.ClH/c13-12(14,15)7-1-4-11(18-8-2-3-8)9(5-7)10(17)6-16;/h1,4-5,8H,2-3,6,16H2;1H.
What are the key properties of 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride?
2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride has a molecular weight of 295.69 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 167434690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).