(E)-3-(2-fluorophenyl)prop-2-enehydrazide

C9H9FN2O — CID 43236608

IUPAC(E)-3-(2-fluorophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C9H9FN2O/c10-8-4-2-1-3-7(8)5-6-9(13)12-11/h1-6H,11H2,(H,12,13)/b6-5+
InChIKeyAPPFNYRRVYWTCJ-AATRIKPKSA-N
MW180.18 g/mol
LogP0.83
Rot. Bonds2

About (E)-3-(2-fluorophenyl)prop-2-enehydrazide

(E)-3-(2-fluorophenyl)prop-2-enehydrazide (PubChem CID 43236608) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)prop-2-enehydrazide
PubChem CID43236608
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name(E)-3-(2-fluorophenyl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/c1ccccc1F
InChIInChI=1S/C9H9FN2O/c10-8-4-2-1-3-7(8)5-6-9(13)12-11/h1-6H,11H2,(H,12,13)/b6-5+
InChIKeyAPPFNYRRVYWTCJ-AATRIKPKSA-N
XLogP0.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid
CID 153336898
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
CID 78972924
(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
CID 112674420
N-(4-acetamidophenyl)-3-(2-fluorophenyl)prop-2-enamide
CID 3454978
tert-butyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]propanoate
CID 80999213
(E)-3-(2-fluorophenyl)-N-prop-2-ynylprop-2-enamide
CID 39736966
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
(E)-3-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315117
(E)-3-(2-fluorophenyl)-N-[(2R)-2-hydroxypropyl]prop-2-enamide
CID 83059614
(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
methyl (2R)-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277808

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(2-fluorophenyl)prop-2-enehydrazide (CID 43236608) is (E)-3-(2-fluorophenyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(2-fluorophenyl)prop-2-enehydrazide is NNC(=O)/C=C/c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)prop-2-enehydrazide?
The InChIKey is APPFNYRRVYWTCJ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-8-4-2-1-3-7(8)5-6-9(13)12-11/h1-6H,11H2,(H,12,13)/b6-5+.
What are the key properties of (E)-3-(2-fluorophenyl)prop-2-enehydrazide?
(E)-3-(2-fluorophenyl)prop-2-enehydrazide has a molecular weight of 180.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)prop-2-enehydrazide is sourced from PubChem (CID 43236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).