(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone

C17H19FO — CID 114097324

IUPAC(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESCc1cc(C)c(C(=O)C2C3C4CCC(C4)C23)c(F)c1
InChIInChI=1S/C17H19FO/c1-8-5-9(2)13(12(18)6-8)17(19)16-14-10-3-4-11(7-10)15(14)16/h5-6,10-11,14-16H,3-4,7H2,1-2H3
InChIKeyHRZZSCZEYYKAAS-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.92
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone

(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone (PubChem CID 114097324) has the molecular formula C17H19FO and a molecular weight of 258.34 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
PubChem CID114097324
Molecular FormulaC17H19FO
Molecular Weight258.34 g/mol
Exact Mass258.14
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
SMILESCc1cc(C)c(C(=O)C2C3C4CCC(C4)C23)c(F)c1
InChIInChI=1S/C17H19FO/c1-8-5-9(2)13(12(18)6-8)17(19)16-14-10-3-4-11(7-10)15(14)16/h5-6,10-11,14-16H,3-4,7H2,1-2H3
InChIKeyHRZZSCZEYYKAAS-UHFFFAOYSA-N
XLogP3.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone with MolForge

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Related Compounds

(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106880824
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
(2-fluoro-4,6-dimethylphenyl)-(4-methylcyclohexen-1-yl)methanone
CID 106880978
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
1-(2-fluoro-4,6-dimethylphenyl)-2-pyrrolidin-2-ylethanone
CID 106883000
2-(2-fluoro-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
CID 106882833
1-(2-fluoro-4,6-dimethylphenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 106880988
1-cyclopropyl-1-(2-fluoro-4,6-dimethylphenyl)ethanol
CID 106880260

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone (CID 114097324) is (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone is Cc1cc(C)c(C(=O)C2C3C4CCC(C4)C23)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
The InChIKey is HRZZSCZEYYKAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO/c1-8-5-9(2)13(12(18)6-8)17(19)16-14-10-3-4-11(7-10)15(14)16/h5-6,10-11,14-16H,3-4,7H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone has a molecular weight of 258.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone is sourced from PubChem (CID 114097324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).