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

C15H14ClF2NO2 — CID 83095315

IUPAC1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(CNc1ccc(F)c(Cl)c1)COc1ccccc1F
InChIInChI=1S/C15H14ClF2NO2/c16-12-7-10(5-6-13(12)17)19-8-11(20)9-21-15-4-2-1-3-14(15)18/h1-7,11,19-20H,8-9H2
InChIKeyZASSXXUWSVBNLQ-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.47
Rot. Bonds6

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

1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 83095315) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
PubChem CID83095315
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC Name1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol
SMILESOC(CNc1ccc(F)c(Cl)c1)COc1ccccc1F
InChIInChI=1S/C15H14ClF2NO2/c16-12-7-10(5-6-13(12)17)19-8-11(20)9-21-15-4-2-1-3-14(15)18/h1-7,11,19-20H,8-9H2
InChIKeyZASSXXUWSVBNLQ-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60898108
1-(2-chlorophenoxy)-3-(3,4-difluoroanilino)propan-2-ol
CID 60898768
1-(5-chloro-2-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60903073
1-(2,4-dichlorophenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898363
1-(2-bromo-5-chloroanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 81280813
1-(3-chloro-5-fluoroanilino)-3-(2-chlorophenoxy)propan-2-ol
CID 107365030
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(2-fluorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779553
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
1-(2,6-dimethylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 62332238
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol (CID 83095315) is 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol is OC(CNc1ccc(F)c(Cl)c1)COc1ccccc1F.
What is the InChIKey of 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is ZASSXXUWSVBNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c16-12-7-10(5-6-13(12)17)19-8-11(20)9-21-15-4-2-1-3-14(15)18/h1-7,11,19-20H,8-9H2.
What are the key properties of 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol?
1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 313.73 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluoroanilino)-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 83095315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).