4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol

C10H15FN2O2 — CID 171880979

IUPAC4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1cccc(N)c1F
InChIInChI=1S/C10H15FN2O2/c11-9-6(2-1-3-7(9)13)10(15)8(14)4-5-12/h1-3,8,10,14-15H,4-5,12-13H2
InChIKeyDKPNOFUOPWCMHA-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.15
Rot. Bonds4

About 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol

4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol (PubChem CID 171880979) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
PubChem CID171880979
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1cccc(N)c1F
InChIInChI=1S/C10H15FN2O2/c11-9-6(2-1-3-7(9)13)10(15)8(14)4-5-12/h1-3,8,10,14-15H,4-5,12-13H2
InChIKeyDKPNOFUOPWCMHA-UHFFFAOYSA-N
XLogP0.15
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[2-fluoro-3-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171881170
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
2-amino-6-(4-amino-1,2-dihydroxybutyl)benzonitrile
CID 171881237
4-amino-1-(3-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881323
2-(4-amino-1,2-dihydroxybutyl)-6-fluorobenzaldehyde
CID 171881179
4-amino-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171880830
4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol
CID 171881337
3-(3-amino-2-fluorophenyl)-2,3-dihydroxypropanenitrile
CID 171869952
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950
2-amino-3-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881717
4-amino-1-(2,3,5-trifluorophenyl)butane-1,2-diol
CID 171881078
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
CID 130642368

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol (CID 171880979) is 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol is NCCC(O)C(O)c1cccc(N)c1F.
What is the InChIKey of 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol?
The InChIKey is DKPNOFUOPWCMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c11-9-6(2-1-3-7(9)13)10(15)8(14)4-5-12/h1-3,8,10,14-15H,4-5,12-13H2.
What are the key properties of 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol?
4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol has a molecular weight of 214.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol is sourced from PubChem (CID 171880979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).