1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol

C10H16FN3O2 — CID 171857917

IUPAC1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(NN)c(F)c1
InChIInChI=1S/C10H16FN3O2/c1-13-5-9(15)10(16)6-2-3-8(14-12)7(11)4-6/h2-4,9-10,13-16H,5,12H2,1H3
InChIKeyAPEUJPWTUYREAH-UHFFFAOYSA-N
MW229.25 g/mol
LogP-0.28
Rot. Bonds5

About 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol

1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857917) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171857917
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Name1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(NN)c(F)c1
InChIInChI=1S/C10H16FN3O2/c1-13-5-9(15)10(16)6-2-3-8(14-12)7(11)4-6/h2-4,9-10,13-16H,5,12H2,1H3
InChIKeyAPEUJPWTUYREAH-UHFFFAOYSA-N
XLogP-0.28
TPSA90.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819840
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019
S-[4-(3-fluoro-4-hydrazinylphenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875848
4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol
CID 171879429
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
(2-fluoro-4-propan-2-ylphenyl)hydrazine;hydrochloride
CID 138473582
1-[3-amino-4-(trifluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858594
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392
1-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857811

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol (CID 171857917) is 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(NN)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is APEUJPWTUYREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-13-5-9(15)10(16)6-2-3-8(14-12)7(11)4-6/h2-4,9-10,13-16H,5,12H2,1H3.
What are the key properties of 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol?
1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 229.25 g/mol, XLogP of -0.28, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).