(Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal

C10H8FNO2 — CID 153356072

IUPAC(Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal
SMILESO=CC/C=C(\N=O)c1ccccc1F
InChIInChI=1S/C10H8FNO2/c11-9-5-2-1-4-8(9)10(12-14)6-3-7-13/h1-2,4-7H,3H2/b10-6-
InChIKeyLNLVCXVLAHTJSE-POHAHGRESA-N
MW193.18 g/mol
LogP2.52
Rot. Bonds4

About (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal

(Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal (PubChem CID 153356072) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal.

Molecular Properties

Compound Name(Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal
PubChem CID153356072
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name(Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal
SMILESO=CC/C=C(\N=O)c1ccccc1F
InChIInChI=1S/C10H8FNO2/c11-9-5-2-1-4-8(9)10(12-14)6-3-7-13/h1-2,4-7H,3H2/b10-6-
InChIKeyLNLVCXVLAHTJSE-POHAHGRESA-N
XLogP2.52
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal 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

(Z)-3-(2-fluorophenyl)pent-2-enal
CID 115015110
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(E)-3-(2-fluorophenyl)but-2-enal
CID 90147584
(3E,5Z)-6-amino-3-fluoro-6-(2-fluorophenyl)hexa-3,5-dienal
CID 143951696
2-fluorobenzoyl chloride
CID 9808
N,N-dimethylformamide;2-fluorobenzoic acid
CID 175257131
3-(2-fluorophenyl)-2-methyl-3-oxopropanal
CID 112677228
lithium 2-fluorobenzoate
CID 19205780
2-fluorobenzoyl chloride;hydrochloride
CID 172728813
2-fluorobenzamide;dihydrochloride
CID 22563899
ethane;2-fluorobenzoic acid
CID 91182768
1-(5-chloropent-2-en-2-yl)-2-fluorobenzene
CID 79003877

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal?
The IUPAC name of (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal (CID 153356072) is (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal.
What is the SMILES notation for (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal?
The canonical SMILES for (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal is O=CC/C=C(\N=O)c1ccccc1F.
What is the InChIKey of (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal?
The InChIKey is LNLVCXVLAHTJSE-POHAHGRESA-N. The full InChI is InChI=1S/C10H8FNO2/c11-9-5-2-1-4-8(9)10(12-14)6-3-7-13/h1-2,4-7H,3H2/b10-6-.
What are the key properties of (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal?
(Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal has a molecular weight of 193.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluorophenyl)-4-nitrosobut-3-enal is sourced from PubChem (CID 153356072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).