ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate

C10H13FO2 — CID 20802369

IUPACethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1(F)CC2C=CC1C2
InChIInChI=1S/C10H13FO2/c1-2-13-9(12)10(11)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeyLWWGXVHUIOPAPF-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.85
Rot. Bonds2

About ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate

ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 20802369) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID20802369
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Nameethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1(F)CC2C=CC1C2
InChIInChI=1S/C10H13FO2/c1-2-13-9(12)10(11)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3
InChIKeyLWWGXVHUIOPAPF-UHFFFAOYSA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5-norbornene-2-carboxylate
CID 24986
Dimethyl carbate
CID 10921747
Dimethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 38295
Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
Bicyclo(2.2.1)hept-5-ene-2-methanol, 2-acetate
CID 239427
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
CID 15607334
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2R,3R,4S)-rel-
CID 121232748
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CID 131866362
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 1-methylcyclopentyl ester
CID 21960938
3a,4,7,7a-Tetrahydro-4,7-methano-2-benzofuran-1(3H)-one
CID 262983

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 20802369) is ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate is CCOC(=O)C1(F)CC2C=CC1C2.
What is the InChIKey of ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is LWWGXVHUIOPAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-2-13-9(12)10(11)6-7-3-4-8(10)5-7/h3-4,7-8H,2,5-6H2,1H3.
What are the key properties of ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate?
ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 184.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 20802369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).