1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone

C9H12F2O — CID 14435685

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
SMILESO=C(C(F)F)C1CC2CCC1C2
InChIInChI=1S/C9H12F2O/c10-9(11)8(12)7-4-5-1-2-6(7)3-5/h5-7,9H,1-4H2
InChIKeyGPQFXOKFKAZCEK-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.26
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone

1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone (PubChem CID 14435685) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
PubChem CID14435685
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
SMILESO=C(C(F)F)C1CC2CCC1C2
InChIInChI=1S/C9H12F2O/c10-9(11)8(12)7-4-5-1-2-6(7)3-5/h5-7,9H,1-4H2
InChIKeyGPQFXOKFKAZCEK-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone with MolForge

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Related Compounds

bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
1-(2-bicyclo[2.2.1]heptanyl)-2-chloro-2,2-difluoroethanone
CID 130494478
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone (CID 14435685) is 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone is O=C(C(F)F)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone?
The InChIKey is GPQFXOKFKAZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c10-9(11)8(12)7-4-5-1-2-6(7)3-5/h5-7,9H,1-4H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone?
1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone has a molecular weight of 174.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone is sourced from PubChem (CID 14435685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).