4-amino-1-(3,4-difluorophenyl)butan-1-ol

C10H13F2NO — CID 82048635

IUPAC4-amino-1-(3,4-difluorophenyl)butan-1-ol
SMILESNCCCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6,10,14H,1-2,5,13H2
InChIKeyIKKNXCRACFPCHA-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.74
Rot. Bonds4

About 4-amino-1-(3,4-difluorophenyl)butan-1-ol

4-amino-1-(3,4-difluorophenyl)butan-1-ol (PubChem CID 82048635) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-amino-1-(3,4-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(3,4-difluorophenyl)butan-1-ol
PubChem CID82048635
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-amino-1-(3,4-difluorophenyl)butan-1-ol
SMILESNCCCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6,10,14H,1-2,5,13H2
InChIKeyIKKNXCRACFPCHA-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71469386
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CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
5-(3-amino-1-hydroxypropyl)-2-fluorophenol
CID 84769630
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
CID 82296845
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
cyano 4-(3,4-difluorophenyl)-4-hydroxybutanoate
CID 71698569
1-(3,4-difluorophenyl)-3-(3-methylphenyl)propan-1-ol
CID 105096422
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,4-difluorophenyl)butan-1-ol?
The IUPAC name of 4-amino-1-(3,4-difluorophenyl)butan-1-ol (CID 82048635) is 4-amino-1-(3,4-difluorophenyl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(3,4-difluorophenyl)butan-1-ol?
The canonical SMILES for 4-amino-1-(3,4-difluorophenyl)butan-1-ol is NCCCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-1-(3,4-difluorophenyl)butan-1-ol?
The InChIKey is IKKNXCRACFPCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-8-4-3-7(6-9(8)12)10(14)2-1-5-13/h3-4,6,10,14H,1-2,5,13H2.
What are the key properties of 4-amino-1-(3,4-difluorophenyl)butan-1-ol?
4-amino-1-(3,4-difluorophenyl)butan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,4-difluorophenyl)butan-1-ol is sourced from PubChem (CID 82048635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).