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

C9H11F2NO — CID 130502592

IUPAC2-(3,4-difluoroanilino)propan-1-ol
SMILESCC(CO)Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-6(5-13)12-7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyUPGFCLQSLRNTJO-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.76
Rot. Bonds3

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

2-(3,4-difluoroanilino)propan-1-ol (PubChem CID 130502592) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(3,4-difluoroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(3,4-difluoroanilino)propan-1-ol
PubChem CID130502592
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(3,4-difluoroanilino)propan-1-ol
SMILESCC(CO)Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO/c1-6(5-13)12-7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3
InChIKeyUPGFCLQSLRNTJO-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

(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
N-butan-2-yl-2-(3,4-difluoroanilino)propanamide
CID 43116673
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
CID 115137890
2-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 51248549
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
(2S)-2-[[(1R)-1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 99777285
2-[4-(aminomethyl)-3-methylanilino]propan-1-ol
CID 81273349
3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
CID 77230473
3,4-difluoro-N-(4-methylpentyl)aniline
CID 83155387
4-(4-ethyl-3-fluoroanilino)pentan-1-ol
CID 115976008
1-N-butan-2-yl-4-fluorobenzene-1,3-diamine
CID 79678033
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoroanilino)propan-1-ol?
The IUPAC name of 2-(3,4-difluoroanilino)propan-1-ol (CID 130502592) is 2-(3,4-difluoroanilino)propan-1-ol.
What is the SMILES notation for 2-(3,4-difluoroanilino)propan-1-ol?
The canonical SMILES for 2-(3,4-difluoroanilino)propan-1-ol is CC(CO)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoroanilino)propan-1-ol?
The InChIKey is UPGFCLQSLRNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-6(5-13)12-7-2-3-8(10)9(11)4-7/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 2-(3,4-difluoroanilino)propan-1-ol?
2-(3,4-difluoroanilino)propan-1-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 2-(3,4-difluoroanilino)propan-1-ol is sourced from PubChem (CID 130502592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).