(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C8H9FO2 — CID 93497302

IUPAC(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)[C@@]1(F)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H9FO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h1-2,5-6H,3-4H2,(H,10,11)/t5-,6+,8+/m0/s1
InChIKeyDWBDWQHKLMQZHK-SHYZEUOFSA-N
MW156.16 g/mol
LogP1.38
Rot. Bonds1

About (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 93497302) has the molecular formula C8H9FO2 and a molecular weight of 156.16 g/mol. Its IUPAC name is (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID93497302
Molecular FormulaC8H9FO2
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Name(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESO=C(O)[C@@]1(F)C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H9FO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h1-2,5-6H,3-4H2,(H,10,11)/t5-,6+,8+/m0/s1
InChIKeyDWBDWQHKLMQZHK-SHYZEUOFSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.38
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

5-Norbornene-2-carboxylic acid
CID 78949
5-Norbornene-2,3-dicarboxylic acid
CID 97965
5-Norbornene-2,3-dicarboxylic acid, cis-endo-
CID 6541030
2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 98465
2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid
CID 136650
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
Alepramic acid
CID 15650101
cis-5-Norbornene-endo-2,3-dicarboxylic acid monomethyl ester
CID 11435525
5-Norbornene-2-endo,3-exo-dicarboxylic acid
CID 12553357
CID 303490
CID 303490
Cyclohex-2-en-1-ylacetic acid
CID 227350
rel-2-Methyl (1R,2S,3R,4S)-bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 10899553

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 93497302) is (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid is O=C(O)[C@@]1(F)C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is DWBDWQHKLMQZHK-SHYZEUOFSA-N. The full InChI is InChI=1S/C8H9FO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h1-2,5-6H,3-4H2,(H,10,11)/t5-,6+,8+/m0/s1.
What are the key properties of (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
(1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 156.16 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-fluorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 93497302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).