(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one

C10H13FN2O — CID 139542071

IUPAC(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
SMILESCC(=O)[C@@H](Cc1cccc(F)c1)NN
InChIInChI=1S/C10H13FN2O/c1-7(14)10(13-12)6-8-3-2-4-9(11)5-8/h2-5,10,13H,6,12H2,1H3/t10-/m1/s1
InChIKeyXHTURBRQRBQXAM-SNVBAGLBSA-N
MW196.23 g/mol
LogP0.79
Rot. Bonds4

About (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one

(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one (PubChem CID 139542071) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one.

Molecular Properties

Compound Name(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
PubChem CID139542071
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one
SMILESCC(=O)[C@@H](Cc1cccc(F)c1)NN
InChIInChI=1S/C10H13FN2O/c1-7(14)10(13-12)6-8-3-2-4-9(11)5-8/h2-5,10,13H,6,12H2,1H3/t10-/m1/s1
InChIKeyXHTURBRQRBQXAM-SNVBAGLBSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
(2S)-3-(3-fluorophenyl)-2-(methylamino)propanoic acid;sulfane
CID 158527905
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
2-bromo-3-(3-fluorophenyl)propanamide
CID 104512961
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
2-amino-3-(3-fluorophenyl)-N',N'-dimethylpropanehydrazide
CID 116849968
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
[(2R)-3-(3-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium
CID 7020806

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one?
The IUPAC name of (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one (CID 139542071) is (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one.
What is the SMILES notation for (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one?
The canonical SMILES for (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one is CC(=O)[C@@H](Cc1cccc(F)c1)NN.
What is the InChIKey of (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one?
The InChIKey is XHTURBRQRBQXAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(14)10(13-12)6-8-3-2-4-9(11)5-8/h2-5,10,13H,6,12H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one?
(3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one has a molecular weight of 196.23 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-fluorophenyl)-3-hydrazinylbutan-2-one is sourced from PubChem (CID 139542071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).