(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone

C14H9FO2 — CID 21487912

IUPAC(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone
SMILESCOc1c(C(=O)c2cccc(F)c2)c2ccc1=2
InChIInChI=1S/C14H9FO2/c1-17-14-11-6-5-10(11)12(14)13(16)8-3-2-4-9(15)7-8/h2-7H,1H3
InChIKeyKQDVIUDHSIKYSS-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.67
Rot. Bonds3

About (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone

(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone (PubChem CID 21487912) has the molecular formula C14H9FO2 and a molecular weight of 228.22 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone
PubChem CID21487912
Molecular FormulaC14H9FO2
Molecular Weight228.22 g/mol
Exact Mass228.06
IUPAC Name(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone
SMILESCOc1c(C(=O)c2cccc(F)c2)c2ccc1=2
InChIInChI=1S/C14H9FO2/c1-17-14-11-6-5-10(11)12(14)13(16)8-3-2-4-9(15)7-8/h2-7H,1H3
InChIKeyKQDVIUDHSIKYSS-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
methyl 3-fluorobenzoate
CID 521184
(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
CID 103373214
(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
CID 66635454
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
methyl 4-fluoro-3-(3-fluorobenzoyl)benzoate
CID 22260738
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone (CID 21487912) is (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone is COc1c(C(=O)c2cccc(F)c2)c2ccc1=2.
What is the InChIKey of (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone?
The InChIKey is KQDVIUDHSIKYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2/c1-17-14-11-6-5-10(11)12(14)13(16)8-3-2-4-9(15)7-8/h2-7H,1H3.
What are the key properties of (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone?
(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone has a molecular weight of 228.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone is sourced from PubChem (CID 21487912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).