fluoro 4-prop-2-enylbenzoate

C10H9FO2 — CID 20652812

IUPACfluoro 4-prop-2-enylbenzoate
SMILESC=CCc1ccc(C(=O)OF)cc1
InChIInChI=1S/C10H9FO2/c1-2-3-8-4-6-9(7-5-8)10(12)13-11/h2,4-7H,1,3H2
InChIKeyMFBZABBECXWHGB-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.46
Rot. Bonds3

About fluoro 4-prop-2-enylbenzoate

fluoro 4-prop-2-enylbenzoate (PubChem CID 20652812) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is fluoro 4-prop-2-enylbenzoate.

Molecular Properties

Compound Namefluoro 4-prop-2-enylbenzoate
PubChem CID20652812
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Namefluoro 4-prop-2-enylbenzoate
SMILESC=CCc1ccc(C(=O)OF)cc1
InChIInChI=1S/C10H9FO2/c1-2-3-8-4-6-9(7-5-8)10(12)13-11/h2,4-7H,1,3H2
InChIKeyMFBZABBECXWHGB-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoro 4-prop-2-enylbenzoate 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

1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
(2-hydroxyphenyl) 4-prop-2-enylbenzoate
CID 67917162
fluoro 4-(diazenylmethyl)benzoate
CID 174578572
fluoro 4-fluorobenzoate
CID 145480473
bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
CID 67944878
N-ethyl-4-prop-2-enylbenzamide
CID 137333139
methyl 6-prop-2-enylnaphthalene-2-carboxylate
CID 163936800
2-chloro-4-(4-prop-2-enylbenzoyl)oxybenzoic acid
CID 70566597
(3-fluoro-4-isothiocyanatophenyl) 4-prop-2-enylbenzoate
CID 71441516
(3-chloro-4-cyanophenyl) 4-prop-2-enylbenzoate
CID 70599863
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
2-fluoroacetic acid;prop-2-enylbenzene
CID 174702554

Frequently Asked Questions

What is the IUPAC name of fluoro 4-prop-2-enylbenzoate?
The IUPAC name of fluoro 4-prop-2-enylbenzoate (CID 20652812) is fluoro 4-prop-2-enylbenzoate.
What is the SMILES notation for fluoro 4-prop-2-enylbenzoate?
The canonical SMILES for fluoro 4-prop-2-enylbenzoate is C=CCc1ccc(C(=O)OF)cc1.
What is the InChIKey of fluoro 4-prop-2-enylbenzoate?
The InChIKey is MFBZABBECXWHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-2-3-8-4-6-9(7-5-8)10(12)13-11/h2,4-7H,1,3H2.
What are the key properties of fluoro 4-prop-2-enylbenzoate?
fluoro 4-prop-2-enylbenzoate has a molecular weight of 180.18 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-prop-2-enylbenzoate is sourced from PubChem (CID 20652812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).