2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone

C16H19FO — CID 115784981

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C16H19FO/c1-10-2-5-14(15(17)6-10)16(18)9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13H,3-4,7-9H2,1H3
InChIKeyIAJQQIUJQHCKJV-UHFFFAOYSA-N
MW246.32 g/mol
LogP4.14
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone (PubChem CID 115784981) has the molecular formula C16H19FO and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone
PubChem CID115784981
Molecular FormulaC16H19FO
Molecular Weight246.32 g/mol
Exact Mass246.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CC2CC3CCC2C3)c(F)c1
InChIInChI=1S/C16H19FO/c1-10-2-5-14(15(17)6-10)16(18)9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13H,3-4,7-9H2,1H3
InChIKeyIAJQQIUJQHCKJV-UHFFFAOYSA-N
XLogP4.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 79559413
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-difluorophenyl)ethanone
CID 114973514
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylfuran-3-yl)ethanone
CID 104789384
2-(1-acetylpiperidin-4-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 144525769
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 107291236
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-methylbenzoic acid
CID 63681993
3-cyclopropyl-1-(2-fluoro-4-methylphenyl)propan-1-one
CID 114978262
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloronaphthalen-1-yl)ethanone
CID 79591378
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 115784962
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63682509
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-bromo-4-methylphenyl)acetamide
CID 11918994

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone (CID 115784981) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CC2CC3CCC2C3)c(F)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone?
The InChIKey is IAJQQIUJQHCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-10-2-5-14(15(17)6-10)16(18)9-13-8-11-3-4-12(13)7-11/h2,5-6,11-13H,3-4,7-9H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-fluoro-4-methylphenyl)ethanone has a molecular weight of 246.32 g/mol, XLogP of 4.14, 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-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 115784981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).