1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol

C12H15ClF3NO2 — CID 63931718

IUPAC1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO2/c1-2-19-7-8(18)6-17-11-9(12(14,15)16)4-3-5-10(11)13/h3-5,8,17-18H,2,6-7H2,1H3
InChIKeyNTUWVSQUBJWPAV-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol

1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol (PubChem CID 63931718) has the molecular formula C12H15ClF3NO2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
PubChem CID63931718
Molecular FormulaC12H15ClF3NO2
Molecular Weight297.70 g/mol
Exact Mass297.07
IUPAC Name1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H15ClF3NO2/c1-2-19-7-8(18)6-17-11-9(12(14,15)16)4-3-5-10(11)13/h3-5,8,17-18H,2,6-7H2,1H3
InChIKeyNTUWVSQUBJWPAV-UHFFFAOYSA-N
XLogP3.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,2-diethoxyethyl)-6-(trifluoromethyl)aniline
CID 81094009
1-[2-chloro-6-(trifluoromethyl)anilino]-3-pyrazol-1-ylpropan-2-ol
CID 60899820
2-chloro-N-(2-methylpentyl)-6-(trifluoromethyl)aniline
CID 43121811
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
CID 28950851
2-chloro-N-(2-phenylpropyl)-6-(trifluoromethyl)aniline
CID 43121812
1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414844
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)aniline
CID 61492678
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
methyl 3-[2-chloro-6-(trifluoromethyl)anilino]-2,2-dimethylpropanoate
CID 79629134
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]butanoate
CID 64668147
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol (CID 63931718) is 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol is CCOCC(O)CNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol?
The InChIKey is NTUWVSQUBJWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO2/c1-2-19-7-8(18)6-17-11-9(12(14,15)16)4-3-5-10(11)13/h3-5,8,17-18H,2,6-7H2,1H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol?
1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol has a molecular weight of 297.70 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)anilino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63931718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).