(Z)-3-(2-fluorophenyl)pent-2-enal

C11H11FO — CID 115015110

IUPAC(Z)-3-(2-fluorophenyl)pent-2-enal
SMILESCC/C(=C/C=O)c1ccccc1F
InChIInChI=1S/C11H11FO/c1-2-9(7-8-13)10-5-3-4-6-11(10)12/h3-8H,2H2,1H3/b9-7-
InChIKeyOQNKBCJMUOVBGX-CLFYSBASSA-N
MW178.21 g/mol
LogP2.82
Rot. Bonds3

About (Z)-3-(2-fluorophenyl)pent-2-enal

(Z)-3-(2-fluorophenyl)pent-2-enal (PubChem CID 115015110) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (Z)-3-(2-fluorophenyl)pent-2-enal.

Molecular Properties

Compound Name(Z)-3-(2-fluorophenyl)pent-2-enal
PubChem CID115015110
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(Z)-3-(2-fluorophenyl)pent-2-enal
SMILESCC/C(=C/C=O)c1ccccc1F
InChIInChI=1S/C11H11FO/c1-2-9(7-8-13)10-5-3-4-6-11(10)12/h3-8H,2H2,1H3/b9-7-
InChIKeyOQNKBCJMUOVBGX-CLFYSBASSA-N
XLogP2.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-(2-fluorophenyl)pent-2-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-methoxyphenyl)pent-2-enal
CID 115018197
(E)-3-(2-fluorophenyl)but-2-enal
CID 90147584
(Z)-3-(2-fluorophenyl)pent-2-enenitrile
CID 112679693
1-(2-fluorophenyl)pentane-1,3-dione
CID 28896114
1-(2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724047
2,2-difluoro-1-(2-fluorophenyl)butan-1-one
CID 140875241
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775
(E)-1-(2-fluorophenyl)pent-2-en-1-one
CID 103942635
ethyl 3-fluoro-2-(2-fluorophenyl)prop-2-enoate
CID 144859412
(3E,5Z)-6-amino-3-fluoro-6-(2-fluorophenyl)hexa-3,5-dienal
CID 143951696
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
2-(dimethylamino)-1-(2-fluorophenyl)butan-1-one
CID 174768245

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-fluorophenyl)pent-2-enal?
The IUPAC name of (Z)-3-(2-fluorophenyl)pent-2-enal (CID 115015110) is (Z)-3-(2-fluorophenyl)pent-2-enal.
What is the SMILES notation for (Z)-3-(2-fluorophenyl)pent-2-enal?
The canonical SMILES for (Z)-3-(2-fluorophenyl)pent-2-enal is CC/C(=C/C=O)c1ccccc1F.
What is the InChIKey of (Z)-3-(2-fluorophenyl)pent-2-enal?
The InChIKey is OQNKBCJMUOVBGX-CLFYSBASSA-N. The full InChI is InChI=1S/C11H11FO/c1-2-9(7-8-13)10-5-3-4-6-11(10)12/h3-8H,2H2,1H3/b9-7-.
What are the key properties of (Z)-3-(2-fluorophenyl)pent-2-enal?
(Z)-3-(2-fluorophenyl)pent-2-enal has a molecular weight of 178.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-fluorophenyl)pent-2-enal is sourced from PubChem (CID 115015110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).