4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol

C9H10FNO2 — CID 22826788

IUPAC4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol
SMILESNC/C(=C/F)c1ccc(O)cc1O
InChIInChI=1S/C9H10FNO2/c10-4-6(5-11)8-2-1-7(12)3-9(8)13/h1-4,12-13H,5,11H2/b6-4-
InChIKeyDMXFCMSXFBVJCA-XQRVVYSFSA-N
MW183.18 g/mol
LogP1.37
Rot. Bonds2

About 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol

4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol (PubChem CID 22826788) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol
PubChem CID22826788
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol
SMILESNC/C(=C/F)c1ccc(O)cc1O
InChIInChI=1S/C9H10FNO2/c10-4-6(5-11)8-2-1-7(12)3-9(8)13/h1-4,12-13H,5,11H2/b6-4-
InChIKeyDMXFCMSXFBVJCA-XQRVVYSFSA-N
XLogP1.37
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
2,4-dihydroxybenzoic acid
CID 1491
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 135992550
N-(2-aminoethyl)-2,4-dihydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107726469
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
(Z)-1-(2,4-dihydroxyphenyl)-3-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25243927
2-amino-1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
CID 84684327
2,4-dihydroxy-N-prop-2-enylbenzamide
CID 103608413
4-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]benzene-1,3-diol
CID 89360211
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol (CID 22826788) is 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol is NC/C(=C/F)c1ccc(O)cc1O.
What is the InChIKey of 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol?
The InChIKey is DMXFCMSXFBVJCA-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-4-6(5-11)8-2-1-7(12)3-9(8)13/h1-4,12-13H,5,11H2/b6-4-.
What are the key properties of 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol?
4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol has a molecular weight of 183.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-amino-1-fluoroprop-1-en-2-yl]benzene-1,3-diol is sourced from PubChem (CID 22826788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).