2-fluoroacetic acid;prop-2-enylbenzene

C11H13FO2 — CID 174702554

IUPAC2-fluoroacetic acid;prop-2-enylbenzene
SMILESC=CCc1ccccc1.O=C(O)CF
InChIInChI=1S/C9H10.C2H3FO2/c1-2-6-9-7-4-3-5-8-9;3-1-2(4)5/h2-5,7-8H,1,6H2;1H2,(H,4,5)
InChIKeyPZIATZQMUOIRNB-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.46
Rot. Bonds3

About 2-fluoroacetic acid;prop-2-enylbenzene

2-fluoroacetic acid;prop-2-enylbenzene (PubChem CID 174702554) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-fluoroacetic acid;prop-2-enylbenzene.

Molecular Properties

Compound Name2-fluoroacetic acid;prop-2-enylbenzene
PubChem CID174702554
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-fluoroacetic acid;prop-2-enylbenzene
SMILESC=CCc1ccccc1.O=C(O)CF
InChIInChI=1S/C9H10.C2H3FO2/c1-2-6-9-7-4-3-5-8-9;3-1-2(4)5/h2-5,7-8H,1,6H2;1H2,(H,4,5)
InChIKeyPZIATZQMUOIRNB-UHFFFAOYSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enylbenzene
CID 159998516
phosphane;prop-2-enylbenzene
CID 87328808
prop-2-enylbenzene;dihydrochloride
CID 174768742
CID 173215164
CID 173215164
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
prop-2-enylbenzene;silicic acid;sulfane
CID 174871791
prop-2-enylbenzene;sulfur trioxide
CID 175109242
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
chloromethylbenzene;prop-2-enylbenzene
CID 174528909
buta-1,3-diene;ethenyl acetate;prop-2-enylbenzene
CID 175320174
pentane;prop-2-enylbenzene
CID 90884247

Frequently Asked Questions

What is the IUPAC name of 2-fluoroacetic acid;prop-2-enylbenzene?
The IUPAC name of 2-fluoroacetic acid;prop-2-enylbenzene (CID 174702554) is 2-fluoroacetic acid;prop-2-enylbenzene.
What is the SMILES notation for 2-fluoroacetic acid;prop-2-enylbenzene?
The canonical SMILES for 2-fluoroacetic acid;prop-2-enylbenzene is C=CCc1ccccc1.O=C(O)CF.
What is the InChIKey of 2-fluoroacetic acid;prop-2-enylbenzene?
The InChIKey is PZIATZQMUOIRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C2H3FO2/c1-2-6-9-7-4-3-5-8-9;3-1-2(4)5/h2-5,7-8H,1,6H2;1H2,(H,4,5).
What are the key properties of 2-fluoroacetic acid;prop-2-enylbenzene?
2-fluoroacetic acid;prop-2-enylbenzene has a molecular weight of 196.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroacetic acid;prop-2-enylbenzene is sourced from PubChem (CID 174702554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).