(3-fluorophenyl) prop-2-enoate

C9H7FO2 — CID 21098293

IUPAC(3-fluorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(F)c1
InChIInChI=1S/C9H7FO2/c1-2-9(11)12-8-5-3-4-7(10)6-8/h2-6H,1H2
InChIKeyDLCLLGYYNXJCMB-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.92
Rot. Bonds2

About (3-fluorophenyl) prop-2-enoate

(3-fluorophenyl) prop-2-enoate (PubChem CID 21098293) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (3-fluorophenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-fluorophenyl) prop-2-enoate
PubChem CID21098293
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name(3-fluorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(F)c1
InChIInChI=1S/C9H7FO2/c1-2-9(11)12-8-5-3-4-7(10)6-8/h2-6H,1H2
InChIKeyDLCLLGYYNXJCMB-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl) prop-2-enoate
CID 10241458
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
CID 135190575
[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
bis(3-fluorophenyl) hexanedioate
CID 91704929
1-[(3E)-2-bromohexa-1,3,5-trien-3-yl]oxy-3-fluorobenzene
CID 143215081
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
phenyl prop-2-enoate;triphenylene
CID 159225619
2-(3-prop-2-enoyloxyphenyl)propanoic acid
CID 142749581

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) prop-2-enoate?
The IUPAC name of (3-fluorophenyl) prop-2-enoate (CID 21098293) is (3-fluorophenyl) prop-2-enoate.
What is the SMILES notation for (3-fluorophenyl) prop-2-enoate?
The canonical SMILES for (3-fluorophenyl) prop-2-enoate is C=CC(=O)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) prop-2-enoate?
The InChIKey is DLCLLGYYNXJCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c1-2-9(11)12-8-5-3-4-7(10)6-8/h2-6H,1H2.
What are the key properties of (3-fluorophenyl) prop-2-enoate?
(3-fluorophenyl) prop-2-enoate has a molecular weight of 166.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) prop-2-enoate is sourced from PubChem (CID 21098293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).