(2-fluorophenyl)methyl prop-2-enoate

C10H9FO2 — CID 66714923

IUPAC(2-fluorophenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1F
InChIInChI=1S/C10H9FO2/c1-2-10(12)13-7-8-5-3-4-6-9(8)11/h2-6H,1,7H2
InChIKeyVOAYPFGHQKUCNI-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.05
Rot. Bonds3

About (2-fluorophenyl)methyl prop-2-enoate

(2-fluorophenyl)methyl prop-2-enoate (PubChem CID 66714923) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is (2-fluorophenyl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl prop-2-enoate
PubChem CID66714923
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name(2-fluorophenyl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccccc1F
InChIInChI=1S/C10H9FO2/c1-2-10(12)13-7-8-5-3-4-6-9(8)11/h2-6H,1,7H2
InChIKeyVOAYPFGHQKUCNI-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(aminomethyl)phenyl]methyl prop-2-enoate
CID 174585354
CID 169031580
CID 169031580
[2-[2-[3-fluoro-4-[2-[2-(prop-2-enoyloxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl prop-2-enoate
CID 123359994
CID 174996513
CID 174996513
(2,3,6-trifluorophenyl)methyl prop-2-enoate
CID 102015327
2-O-[(2-fluorophenyl)methyl] 1-O-methyl oxalate
CID 175695991
(2-fluorophenyl)methyl 2-[2-(aminomethyl)phenyl]acetate
CID 81317645
(2-fluorophenyl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664716
4-[(2-fluorophenyl)methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 150795709
(2-fluorophenyl)methyl 4-amino-2-hydroxybutanoate
CID 107837622
(2-fluorophenyl)methyl 3,3-dimethylbutanoate
CID 78760332
[2-(2-fluoro-4-phenylphenyl)-5-(2-hydroxyethoxy)phenyl]methyl prop-2-enoate
CID 134200904

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl prop-2-enoate?
The IUPAC name of (2-fluorophenyl)methyl prop-2-enoate (CID 66714923) is (2-fluorophenyl)methyl prop-2-enoate.
What is the SMILES notation for (2-fluorophenyl)methyl prop-2-enoate?
The canonical SMILES for (2-fluorophenyl)methyl prop-2-enoate is C=CC(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl prop-2-enoate?
The InChIKey is VOAYPFGHQKUCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-2-10(12)13-7-8-5-3-4-6-9(8)11/h2-6H,1,7H2.
What are the key properties of (2-fluorophenyl)methyl prop-2-enoate?
(2-fluorophenyl)methyl prop-2-enoate has a molecular weight of 180.18 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl prop-2-enoate is sourced from PubChem (CID 66714923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).