1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol

C9H9Cl2F2NO — CID 168637483

IUPAC1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
SMILESOC(CCl)CNc1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2F2NO/c10-3-6(15)4-14-5-1-7(11)9(13)8(12)2-5/h1-2,6,14-15H,3-4H2
InChIKeyRNCRZFYZUMFISV-UHFFFAOYSA-N
MW256.08 g/mol
LogP2.63
Rot. Bonds4

About 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol

1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol (PubChem CID 168637483) has the molecular formula C9H9Cl2F2NO and a molecular weight of 256.08 g/mol. Its IUPAC name is 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
PubChem CID168637483
Molecular FormulaC9H9Cl2F2NO
Molecular Weight256.08 g/mol
Exact Mass255.00
IUPAC Name1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
SMILESOC(CCl)CNc1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2F2NO/c10-3-6(15)4-14-5-1-7(11)9(13)8(12)2-5/h1-2,6,14-15H,3-4H2
InChIKeyRNCRZFYZUMFISV-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.08
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(4-ethoxy-3,5-difluoroanilino)propan-2-ol
CID 168640847
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-(5-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168640102
1-chloro-3-[4-(3-chloro-2-fluorophenoxy)-3-fluoroanilino]propan-2-ol
CID 168637695
3-hydroxy-4-(3,4,5-trifluoroanilino)butanoic acid
CID 103249545
1-(6-bromo-2-chloro-3,4-difluoroanilino)-3-chloropropan-2-ol
CID 168637029
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
ethyl 4-(3,5-dichloro-4-fluoroanilino)-3-hydroxybutanoate
CID 107575620
1-(2-bromo-3,4,6-trifluoroanilino)-3-chloropropan-2-ol
CID 168640617
6-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-2,3-dihydroisoindol-1-one
CID 168640025
1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
CID 168636370
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol (CID 168637483) is 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol is OC(CCl)CNc1cc(F)c(F)c(Cl)c1.
What is the InChIKey of 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol?
The InChIKey is RNCRZFYZUMFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F2NO/c10-3-6(15)4-14-5-1-7(11)9(13)8(12)2-5/h1-2,6,14-15H,3-4H2.
What are the key properties of 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol?
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol has a molecular weight of 256.08 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol is sourced from PubChem (CID 168637483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).