1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol

C9H9Cl3FNO — CID 168640690

IUPAC1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
SMILESOC(CCl)CNc1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl3FNO/c10-3-5(15)4-14-9-7(13)2-1-6(11)8(9)12/h1-2,5,14-15H,3-4H2
InChIKeyDNIILOYQNKBXHQ-UHFFFAOYSA-N
MW272.53 g/mol
LogP3.14
Rot. Bonds4

About 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol

1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol (PubChem CID 168640690) has the molecular formula C9H9Cl3FNO and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
PubChem CID168640690
Molecular FormulaC9H9Cl3FNO
Molecular Weight272.53 g/mol
Exact Mass270.97
IUPAC Name1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
SMILESOC(CCl)CNc1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl3FNO/c10-3-5(15)4-14-9-7(13)2-1-6(11)8(9)12/h1-2,5,14-15H,3-4H2
InChIKeyDNIILOYQNKBXHQ-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-(2-chloro-4-fluoro-3-methylanilino)propan-2-ol
CID 168640198
3-bromo-2-[(3-chloro-2-hydroxypropyl)amino]-4-fluorobenzonitrile
CID 168637764
1-(6-bromo-2-chloro-3,4-difluoroanilino)-3-chloropropan-2-ol
CID 168637029
1-chloro-3-[2,3-dichloro-6-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637700
1-chloro-3-(3-chloro-2,6-diethylanilino)propan-2-ol
CID 168640686
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
4-[(3-chloro-2-hydroxypropyl)amino]-3-fluorophenol
CID 168636307
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-(2-bromo-3,4,6-trifluoroanilino)-3-chloropropan-2-ol
CID 168640617
1-(4-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168636288
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol (CID 168640690) is 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol is OC(CCl)CNc1c(F)ccc(Cl)c1Cl.
What is the InChIKey of 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol?
The InChIKey is DNIILOYQNKBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3FNO/c10-3-5(15)4-14-9-7(13)2-1-6(11)8(9)12/h1-2,5,14-15H,3-4H2.
What are the key properties of 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol?
1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol has a molecular weight of 272.53 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol is sourced from PubChem (CID 168640690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).