4-amino-1-(2,6-difluorophenyl)butane-1,2-diol

C10H13F2NO2 — CID 171880830

IUPAC4-amino-1-(2,6-difluorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO2/c11-6-2-1-3-7(12)9(6)10(15)8(14)4-5-13/h1-3,8,10,14-15H,4-5,13H2
InChIKeyJDEQOYKWPWMGJO-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.71
Rot. Bonds4

About 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol

4-amino-1-(2,6-difluorophenyl)butane-1,2-diol (PubChem CID 171880830) has the molecular formula C10H13F2NO2 and a molecular weight of 217.21 g/mol. Its IUPAC name is 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(2,6-difluorophenyl)butane-1,2-diol
PubChem CID171880830
Molecular FormulaC10H13F2NO2
Molecular Weight217.21 g/mol
Exact Mass217.09
IUPAC Name4-amino-1-(2,6-difluorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO2/c11-6-2-1-3-7(12)9(6)10(15)8(14)4-5-13/h1-3,8,10,14-15H,4-5,13H2
InChIKeyJDEQOYKWPWMGJO-UHFFFAOYSA-N
XLogP0.71
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171891582
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
4-amino-1-(3-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881323
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
2-(4-amino-1,2-dihydroxybutyl)-6-fluorobenzaldehyde
CID 171881179
4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
CID 171880979
(1R,2S)-2-amino-1-(2,6-difluorophenyl)propan-1-ol
CID 28743561
4-amino-1-[2-fluoro-3-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171881170
1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
CID 171859699
4-amino-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbutanamide
CID 80542883
(1R,2S)-1-amino-1-(2,6-difluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171262192
3-amino-1-(2-chloro-3,6-difluorophenyl)propane-1,2-diol
CID 170829227

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol (CID 171880830) is 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol is NCCC(O)C(O)c1c(F)cccc1F.
What is the InChIKey of 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol?
The InChIKey is JDEQOYKWPWMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2/c11-6-2-1-3-7(12)9(6)10(15)8(14)4-5-13/h1-3,8,10,14-15H,4-5,13H2.
What are the key properties of 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol?
4-amino-1-(2,6-difluorophenyl)butane-1,2-diol has a molecular weight of 217.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,6-difluorophenyl)butane-1,2-diol is sourced from PubChem (CID 171880830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).