2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone

C15H16F2O — CID 114973514

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
SMILESO=C(CC1CC2CCC1C2)c1cccc(F)c1F
InChIInChI=1S/C15H16F2O/c16-13-3-1-2-12(15(13)17)14(18)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2
InChIKeyNFDZVJHQBCYCDO-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone (PubChem CID 114973514) has the molecular formula C15H16F2O and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
PubChem CID114973514
Molecular FormulaC15H16F2O
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
SMILESO=C(CC1CC2CCC1C2)c1cccc(F)c1F
InChIInChI=1S/C15H16F2O/c16-13-3-1-2-12(15(13)17)14(18)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2
InChIKeyNFDZVJHQBCYCDO-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 115784962
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115784981
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 21174603
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 63527858
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethoxyphenyl)ethanone
CID 115784988
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloronaphthalen-1-yl)ethanone
CID 79591378
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
2-(2-bicyclo[2.2.1]heptanyl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 113456876
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 115799934
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789384
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 11919710

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone (CID 114973514) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone is O=C(CC1CC2CCC1C2)c1cccc(F)c1F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is NFDZVJHQBCYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O/c16-13-3-1-2-12(15(13)17)14(18)8-11-7-9-4-5-10(11)6-9/h1-3,9-11H,4-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone has a molecular weight of 250.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 114973514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).