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

C9H11F2NO — CID 60886197

IUPAC1-(3,5-difluoroanilino)propan-2-ol
SMILESCC(O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-6(13)5-12-9-3-7(10)2-8(11)4-9/h2-4,6,12-13H,5H2,1H3
InChIKeyZNTZFPOHVAZDBC-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.76
Rot. Bonds3

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

1-(3,5-difluoroanilino)propan-2-ol (PubChem CID 60886197) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(3,5-difluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluoroanilino)propan-2-ol
PubChem CID60886197
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(3,5-difluoroanilino)propan-2-ol
SMILESCC(O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO/c1-6(13)5-12-9-3-7(10)2-8(11)4-9/h2-4,6,12-13H,5H2,1H3
InChIKeyZNTZFPOHVAZDBC-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
3-fluoro-5-(2-hydroxypropylamino)benzoic acid
CID 82539772
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
1-(3,5-difluoroanilino)butan-2-ol
CID 60885411
1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
N-(2,2-difluoroethyl)-3,5-difluoroaniline
CID 60922925
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
(2S)-1-(3-chloro-4-fluoroanilino)propan-2-ol
CID 39240659
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoroanilino)propan-2-ol?
The IUPAC name of 1-(3,5-difluoroanilino)propan-2-ol (CID 60886197) is 1-(3,5-difluoroanilino)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluoroanilino)propan-2-ol?
The canonical SMILES for 1-(3,5-difluoroanilino)propan-2-ol is CC(O)CNc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluoroanilino)propan-2-ol?
The InChIKey is ZNTZFPOHVAZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6(13)5-12-9-3-7(10)2-8(11)4-9/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 1-(3,5-difluoroanilino)propan-2-ol?
1-(3,5-difluoroanilino)propan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoroanilino)propan-2-ol is sourced from PubChem (CID 60886197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).