2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide

C10H9FN2O — CID 178137904

IUPAC2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/C)C=O)c1ccccc1F
InChIInChI=1S/C10H9FN2O/c1-7(6-14)13-10(12)8-4-2-3-5-9(8)11/h2-6,12H,1H3/b12-10-,13-7+
InChIKeyGDHYYRTUBWGBPZ-GNEBIQABSA-N
MW192.19 g/mol
LogP1.81
Rot. Bonds2

About 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide

2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide (PubChem CID 178137904) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide
PubChem CID178137904
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide
SMILES[H]/N=C(\N=C(/C)C=O)c1ccccc1F
InChIInChI=1S/C10H9FN2O/c1-7(6-14)13-10(12)8-4-2-3-5-9(8)11/h2-6,12H,1H3/b12-10-,13-7+
InChIKeyGDHYYRTUBWGBPZ-GNEBIQABSA-N
XLogP1.81
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
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(E)-3-(2-fluorophenyl)but-2-enoic acid
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[3-chloro-4-(2-fluorophenyl)-4-iminobut-2-en-2-yl]-methylazanium
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ethane;2-fluorobenzoic acid
CID 91182768
2-(2-fluorophenyl)benzenecarboximidoyl chloride
CID 22419529
N,N-dimethylformamide;2-fluorobenzoic acid
CID 175257131
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
acetylene;(2E)-2-[(2-fluorophenyl)methyl-(4-phenylphenyl)hydrazinylidene]propanal
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide?
The IUPAC name of 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide (CID 178137904) is 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide is [H]/N=C(\N=C(/C)C=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide?
The InChIKey is GDHYYRTUBWGBPZ-GNEBIQABSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7(6-14)13-10(12)8-4-2-3-5-9(8)11/h2-6,12H,1H3/b12-10-,13-7+.
What are the key properties of 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide?
2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide has a molecular weight of 192.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-oxopropan-2-ylidene)benzenecarboximidamide is sourced from PubChem (CID 178137904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).