1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol

C10H10Cl2F3NO2 — CID 168640841

IUPAC1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
SMILESOC(CCl)CNc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO2/c11-4-7(17)5-16-8-3-6(12)1-2-9(8)18-10(13,14)15/h1-3,7,16-17H,4-5H2
InChIKeyCLPOKMQJQAGGRJ-UHFFFAOYSA-N
MW304.10 g/mol
LogP3.25
Rot. Bonds5

About 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol

1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol (PubChem CID 168640841) has the molecular formula C10H10Cl2F3NO2 and a molecular weight of 304.10 g/mol. Its IUPAC name is 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
PubChem CID168640841
Molecular FormulaC10H10Cl2F3NO2
Molecular Weight304.10 g/mol
Exact Mass303.00
IUPAC Name1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
SMILESOC(CCl)CNc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C10H10Cl2F3NO2/c11-4-7(17)5-16-8-3-6(12)1-2-9(8)18-10(13,14)15/h1-3,7,16-17H,4-5H2
InChIKeyCLPOKMQJQAGGRJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol
CID 168637427
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
CID 168638306
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
3-[5-chloro-2-(2,2-difluoroethoxy)anilino]propane-1,2-diol
CID 168594806
1-chloro-3-(5-fluoro-2-pentan-3-yloxyanilino)propan-2-ol
CID 168638738
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
4-chloro-2-(trifluoromethoxy)phenol
CID 58046341
1-chloro-3-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-5-methoxyanilino]propan-2-ol
CID 168640446
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
1-(5-chloro-2-methoxyanilino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989141
1-(5-chloro-2-methoxyanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989140

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol (CID 168640841) is 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol is OC(CCl)CNc1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol?
The InChIKey is CLPOKMQJQAGGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO2/c11-4-7(17)5-16-8-3-6(12)1-2-9(8)18-10(13,14)15/h1-3,7,16-17H,4-5H2.
What are the key properties of 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol?
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol has a molecular weight of 304.10 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 168640841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).