1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol

C16H15ClF3NO2 — CID 168638306

IUPAC1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
SMILESOC(CCl)CNc1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15ClF3NO2/c17-9-11(22)10-21-14-7-3-1-5-12(14)13-6-2-4-8-15(13)23-16(18,19)20/h1-8,11,21-22H,9-10H2
InChIKeyPTXLLOJWTZOOOO-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.26
Rot. Bonds6

About 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol

1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol (PubChem CID 168638306) has the molecular formula C16H15ClF3NO2 and a molecular weight of 345.75 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
PubChem CID168638306
Molecular FormulaC16H15ClF3NO2
Molecular Weight345.75 g/mol
Exact Mass345.07
IUPAC Name1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
SMILESOC(CCl)CNc1ccccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15ClF3NO2/c17-9-11(22)10-21-14-7-3-1-5-12(14)13-6-2-4-8-15(13)23-16(18,19)20/h1-8,11,21-22H,9-10H2
InChIKeyPTXLLOJWTZOOOO-UHFFFAOYSA-N
XLogP4.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
2-cyano-N-[2-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 168521827
1-chloro-3-[4-methyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-ol
CID 168638588
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol (CID 168638306) is 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol is OC(CCl)CNc1ccccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol?
The InChIKey is PTXLLOJWTZOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO2/c17-9-11(22)10-21-14-7-3-1-5-12(14)13-6-2-4-8-15(13)23-16(18,19)20/h1-8,11,21-22H,9-10H2.
What are the key properties of 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol?
1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol has a molecular weight of 345.75 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol is sourced from PubChem (CID 168638306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).