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

C10H13F2NO — CID 60885411

IUPAC1-(3,5-difluoroanilino)butan-2-ol
SMILESCCC(O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c1-2-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13-14H,2,6H2,1H3
InChIKeyORVCIHZGVWZLEJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.15
Rot. Bonds4

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

1-(3,5-difluoroanilino)butan-2-ol (PubChem CID 60885411) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3,5-difluoroanilino)butan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluoroanilino)butan-2-ol
PubChem CID60885411
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3,5-difluoroanilino)butan-2-ol
SMILESCCC(O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO/c1-2-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13-14H,2,6H2,1H3
InChIKeyORVCIHZGVWZLEJ-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluoroanilino)propan-2-ol
CID 60886197
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
N-(2,2-difluoroethyl)-3,5-difluoroaniline
CID 60922925
(2R)-1-(3-fluoro-5-methylanilino)propan-2-ol
CID 106932274
1-(3,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60901856
N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
1-(3-bromo-5-chloroanilino)butan-2-ol
CID 131187308
3-fluoro-N-(2-fluorobutyl)-5-methylaniline
CID 131160310
3-fluoro-5-methyl-N-(2-methylpropyl)aniline
CID 75356152
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
5-fluoro-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 62698705
2-(3,5-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60901279

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoroanilino)butan-2-ol?
The IUPAC name of 1-(3,5-difluoroanilino)butan-2-ol (CID 60885411) is 1-(3,5-difluoroanilino)butan-2-ol.
What is the SMILES notation for 1-(3,5-difluoroanilino)butan-2-ol?
The canonical SMILES for 1-(3,5-difluoroanilino)butan-2-ol is CCC(O)CNc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluoroanilino)butan-2-ol?
The InChIKey is ORVCIHZGVWZLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-10(14)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13-14H,2,6H2,1H3.
What are the key properties of 1-(3,5-difluoroanilino)butan-2-ol?
1-(3,5-difluoroanilino)butan-2-ol has a molecular weight of 201.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoroanilino)butan-2-ol is sourced from PubChem (CID 60885411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).