2-(1-fluoroethylidene)pent-4-enoic acid

C7H9FO2 — CID 87744885

IUPAC2-(1-fluoroethylidene)pent-4-enoic acid
SMILESC=CCC(C(=O)O)=C(C)F
InChIInChI=1S/C7H9FO2/c1-3-4-6(5(2)8)7(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyBWDSFMBNCFKLDS-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.89
Rot. Bonds3

About 2-(1-fluoroethylidene)pent-4-enoic acid

2-(1-fluoroethylidene)pent-4-enoic acid (PubChem CID 87744885) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-(1-fluoroethylidene)pent-4-enoic acid.

Molecular Properties

Compound Name2-(1-fluoroethylidene)pent-4-enoic acid
PubChem CID87744885
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name2-(1-fluoroethylidene)pent-4-enoic acid
SMILESC=CCC(C(=O)O)=C(C)F
InChIInChI=1S/C7H9FO2/c1-3-4-6(5(2)8)7(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyBWDSFMBNCFKLDS-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-fluoroethylidene)pent-4-enoic acid 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

(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043
3-amino-2-prop-2-enylhexa-2,5-dienoic acid
CID 87149470
2-[hydroperoxy(hydroxy)methylidene]pent-4-enoic acid
CID 173434225
2-pentyl-3-prop-2-enylbut-2-enedioic acid
CID 173366116
(213C)pent-4-en-2-one
CID 173180315
(2Z)-3-prop-2-enoxycarbonyl-2-prop-2-enylhexa-2,5-dienoic acid
CID 67788544
3-[2-(dimethylamino)ethyl]-2-prop-2-enylpenta-2,4-dienoic acid
CID 174755291
bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 119024225
2-(3-ethylsulfanylpropyl)-3-prop-2-enylbut-2-enedioic acid
CID 54287135
calcium;hydride;pent-4-en-2-one
CID 174750875
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
(2Z)-2-[1-(1-phenylethylamino)ethylidene]pent-4-enoic acid
CID 155270731

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethylidene)pent-4-enoic acid?
The IUPAC name of 2-(1-fluoroethylidene)pent-4-enoic acid (CID 87744885) is 2-(1-fluoroethylidene)pent-4-enoic acid.
What is the SMILES notation for 2-(1-fluoroethylidene)pent-4-enoic acid?
The canonical SMILES for 2-(1-fluoroethylidene)pent-4-enoic acid is C=CCC(C(=O)O)=C(C)F.
What is the InChIKey of 2-(1-fluoroethylidene)pent-4-enoic acid?
The InChIKey is BWDSFMBNCFKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-3-4-6(5(2)8)7(9)10/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of 2-(1-fluoroethylidene)pent-4-enoic acid?
2-(1-fluoroethylidene)pent-4-enoic acid has a molecular weight of 144.14 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethylidene)pent-4-enoic acid is sourced from PubChem (CID 87744885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).