2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone

C16H19FO — CID 106876825

IUPAC2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H19FO/c1-9-5-13(17)6-10(2)15(9)16(18)14-8-11-3-4-12(14)7-11/h5-6,11-12,14H,3-4,7-8H2,1-2H3
InChIKeyPXTCAIYCXXBBRP-UHFFFAOYSA-N
MW246.32 g/mol
LogP4.06
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone

2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone (PubChem CID 106876825) has the molecular formula C16H19FO and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone
PubChem CID106876825
Molecular FormulaC16H19FO
Molecular Weight246.32 g/mol
Exact Mass246.14
IUPAC Name2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone
SMILESCc1cc(F)cc(C)c1C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H19FO/c1-9-5-13(17)6-10(2)15(9)16(18)14-8-11-3-4-12(14)7-11/h5-6,11-12,14H,3-4,7-8H2,1-2H3
InChIKeyPXTCAIYCXXBBRP-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluoro-2,6-dimethylphenyl)-(2-phenylcyclopropyl)methanone
CID 106876685
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
CID 12768266
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-(2-fluorophenyl)methanone
CID 99719002
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916
(4-fluoro-2,6-dimethylphenyl)-(oxan-3-yl)methanone
CID 106876876
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone
CID 114686193
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114247096
2-bicyclo[2.2.1]heptanyl-(2-bromo-3,4-difluorophenyl)methanone
CID 114245834
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone (CID 106876825) is 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone is Cc1cc(F)cc(C)c1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone?
The InChIKey is PXTCAIYCXXBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-9-5-13(17)6-10(2)15(9)16(18)14-8-11-3-4-12(14)7-11/h5-6,11-12,14H,3-4,7-8H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone?
2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone has a molecular weight of 246.32 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 106876825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).