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

C10H11Cl2F2NO2 — CID 168637427

IUPAC1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol
SMILESOC(CCl)CNc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H11Cl2F2NO2/c11-4-7(16)5-15-8-3-6(12)1-2-9(8)17-10(13)14/h1-3,7,10,15-16H,4-5H2
InChIKeyBKPWKDLOCVUAGO-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.95
Rot. Bonds6

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

1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol (PubChem CID 168637427) has the molecular formula C10H11Cl2F2NO2 and a molecular weight of 286.11 g/mol. Its IUPAC name is 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol
PubChem CID168637427
Molecular FormulaC10H11Cl2F2NO2
Molecular Weight286.11 g/mol
Exact Mass285.01
IUPAC Name1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol
SMILESOC(CCl)CNc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H11Cl2F2NO2/c11-4-7(16)5-15-8-3-6(12)1-2-9(8)17-10(13)14/h1-3,7,10,15-16H,4-5H2
InChIKeyBKPWKDLOCVUAGO-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 52.95
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-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
4-chloro-2-[[(2S)-3-chloro-2-hydroxypropyl]amino]phenol
CID 142586628
1-[5-bromo-4-(difluoromethoxy)-2-fluoroanilino]-3-chloropropan-2-ol
CID 168640776
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
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
[5-chloro-2-(difluoromethoxy)phenyl]hydrazine;hydrochloride
CID 165125557
2,4-dichloro-6-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636495
5-chloro-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid
CID 168640956
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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol (CID 168637427) is 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol is OC(CCl)CNc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol?
The InChIKey is BKPWKDLOCVUAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2NO2/c11-4-7(16)5-15-8-3-6(12)1-2-9(8)17-10(13)14/h1-3,7,10,15-16H,4-5H2.
What are the key properties of 1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol?
1-chloro-3-[5-chloro-2-(difluoromethoxy)anilino]propan-2-ol has a molecular weight of 286.11 g/mol, XLogP of 2.95, 6 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-(difluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 168637427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).