bicyclo[2.2.1]heptane-2-carbonyl fluoride

C8H11FO — CID 86250124

IUPACbicyclo[2.2.1]heptane-2-carbonyl fluoride
SMILESO=C(F)C1CC2CCC1C2
InChIInChI=1S/C8H11FO/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyWFZTVFAPTIXENX-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.92
Rot. Bonds1

About bicyclo[2.2.1]heptane-2-carbonyl fluoride

bicyclo[2.2.1]heptane-2-carbonyl fluoride (PubChem CID 86250124) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carbonyl fluoride.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2-carbonyl fluoride
PubChem CID86250124
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Namebicyclo[2.2.1]heptane-2-carbonyl fluoride
SMILESO=C(F)C1CC2CCC1C2
InChIInChI=1S/C8H11FO/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyWFZTVFAPTIXENX-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(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)-2,2-difluoroethanone
CID 14435685
1-(2-bicyclo[2.2.1]heptanyl)-2-chloro-2,2-difluoroethanone
CID 130494478
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
[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)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]heptane
CID 91459533
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carbonyl fluoride?
The IUPAC name of bicyclo[2.2.1]heptane-2-carbonyl fluoride (CID 86250124) is bicyclo[2.2.1]heptane-2-carbonyl fluoride.
What is the SMILES notation for bicyclo[2.2.1]heptane-2-carbonyl fluoride?
The canonical SMILES for bicyclo[2.2.1]heptane-2-carbonyl fluoride is O=C(F)C1CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]heptane-2-carbonyl fluoride?
The InChIKey is WFZTVFAPTIXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c9-8(10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2.
What are the key properties of bicyclo[2.2.1]heptane-2-carbonyl fluoride?
bicyclo[2.2.1]heptane-2-carbonyl fluoride has a molecular weight of 142.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2-carbonyl fluoride is sourced from PubChem (CID 86250124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).