1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol

C10H9Cl3F3NO — CID 168640694

IUPAC1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl3F3NO/c11-3-6(18)4-17-9-7(12)1-5(2-8(9)13)10(14,15)16/h1-2,6,17-18H,3-4H2
InChIKeyYIBOFBJNSCNQQM-UHFFFAOYSA-N
MW322.54 g/mol
LogP4.02
Rot. Bonds4

About 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol

1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 168640694) has the molecular formula C10H9Cl3F3NO and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
PubChem CID168640694
Molecular FormulaC10H9Cl3F3NO
Molecular Weight322.54 g/mol
Exact Mass320.97
IUPAC Name1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
SMILESOC(CCl)CNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl3F3NO/c11-3-6(18)4-17-9-7(12)1-5(2-8(9)13)10(14,15)16/h1-2,6,17-18H,3-4H2
InChIKeyYIBOFBJNSCNQQM-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)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-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637700
N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]methanediamine
CID 58121577
1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol
CID 168639107
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
CID 142056538
1-(6-bromo-2-chloro-3,4-difluoroanilino)-3-chloropropan-2-ol
CID 168637029
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
CID 168640690
1-chloro-3-[3-iodo-4-(trifluoromethyl)anilino]propan-2-ol
CID 168639860
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
N-[2-amino-6-chloro-4-(trifluoromethyl)phenyl]thiohydroxylamine
CID 150390045

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol (CID 168640694) is 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol is OC(CCl)CNc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is YIBOFBJNSCNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3F3NO/c11-3-6(18)4-17-9-7(12)1-5(2-8(9)13)10(14,15)16/h1-2,6,17-18H,3-4H2.
What are the key properties of 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol?
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 322.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 168640694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).