1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol

C15H13Cl2F2NO2 — CID 168637695

IUPAC1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C15H13Cl2F2NO2/c16-7-10(21)8-20-9-4-5-13(12(18)6-9)22-14-3-1-2-11(17)15(14)19/h1-6,10,20-21H,7-8H2
InChIKeyFZBJOPCZBFRGCR-UHFFFAOYSA-N
MW348.18 g/mol
LogP4.42
Rot. Bonds6

About 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol

1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol (PubChem CID 168637695) has the molecular formula C15H13Cl2F2NO2 and a molecular weight of 348.18 g/mol. Its IUPAC name is 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol
PubChem CID168637695
Molecular FormulaC15H13Cl2F2NO2
Molecular Weight348.18 g/mol
Exact Mass347.03
IUPAC Name1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(Oc2cccc(Cl)c2F)c(F)c1
InChIInChI=1S/C15H13Cl2F2NO2/c16-7-10(21)8-20-9-4-5-13(12(18)6-9)22-14-3-1-2-11(17)15(14)19/h1-6,10,20-21H,7-8H2
InChIKeyFZBJOPCZBFRGCR-UHFFFAOYSA-N
XLogP4.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 54.42
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

(1S)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanol
CID 104892683
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
1-chloro-3-[3-chloro-4-(2,4-dimethylphenoxy)anilino]propan-2-ol
CID 168639426
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
(1R)-1-[4-(3-chloro-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 104892667
4-(3-chloro-2-fluorophenoxy)-3-fluorobenzenecarbothioamide
CID 116689080
1-chloro-3-[3-[(4-fluorophenyl)methoxy]anilino]propan-2-ol
CID 168639837

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol (CID 168637695) is 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol is OC(CCl)CNc1ccc(Oc2cccc(Cl)c2F)c(F)c1.
What is the InChIKey of 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol?
The InChIKey is FZBJOPCZBFRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2NO2/c16-7-10(21)8-20-9-4-5-13(12(18)6-9)22-14-3-1-2-11(17)15(14)19/h1-6,10,20-21H,7-8H2.
What are the key properties of 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol?
1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol has a molecular weight of 348.18 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol is sourced from PubChem (CID 168637695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).