2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one

C16H15FO — CID 91269065

IUPAC2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one
SMILESC=CC1=C(C=C)C(c2ccccc2F)CCC1=O
InChIInChI=1S/C16H15FO/c1-3-11-12(4-2)16(18)10-9-13(11)14-7-5-6-8-15(14)17/h3-8,13H,1-2,9-10H2
InChIKeyODWLTHGFLIDPTJ-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.94
Rot. Bonds3

About 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one

2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one (PubChem CID 91269065) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one
PubChem CID91269065
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one
SMILESC=CC1=C(C=C)C(c2ccccc2F)CCC1=O
InChIInChI=1S/C16H15FO/c1-3-11-12(4-2)16(18)10-9-13(11)14-7-5-6-8-15(14)17/h3-8,13H,1-2,9-10H2
InChIKeyODWLTHGFLIDPTJ-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212
3-(2-fluorophenyl)oxan-2-one
CID 121220239
2-methylidene-3-phenylcyclopentan-1-one
CID 24978032
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
CID 129390835
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
4-(3-chloro-4-ethenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 118087557
(3R)-3-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 124528047
3-(2-fluorophenyl)cyclobutan-1-one
CID 53403957
(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
2-(2,3-dihydro-1H-inden-1-yl)-6-fluorophenol
CID 173126795
(4R)-2-[(4-chlorophenyl)iminomethyl]-3-hydroxy-4-phenylcyclohex-2-en-1-one
CID 135726728

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one?
The IUPAC name of 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one (CID 91269065) is 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one?
The canonical SMILES for 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one is C=CC1=C(C=C)C(c2ccccc2F)CCC1=O.
What is the InChIKey of 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one?
The InChIKey is ODWLTHGFLIDPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-3-11-12(4-2)16(18)10-9-13(11)14-7-5-6-8-15(14)17/h3-8,13H,1-2,9-10H2.
What are the key properties of 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one?
2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one has a molecular weight of 242.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one is sourced from PubChem (CID 91269065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).