1-fluorobicyclo[3.1.1]heptan-2-one

C7H9FO — CID 13265793

IUPAC1-fluorobicyclo[3.1.1]heptan-2-one
SMILESO=C1CCC2CC1(F)C2
InChIInChI=1S/C7H9FO/c8-7-3-5(4-7)1-2-6(7)9/h5H,1-4H2
InChIKeyOKEXKQIBDKHYKG-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.47
Rot. Bonds

About 1-fluorobicyclo[3.1.1]heptan-2-one

1-fluorobicyclo[3.1.1]heptan-2-one (PubChem CID 13265793) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-fluorobicyclo[3.1.1]heptan-2-one.

Molecular Properties

Compound Name1-fluorobicyclo[3.1.1]heptan-2-one
PubChem CID13265793
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name1-fluorobicyclo[3.1.1]heptan-2-one
SMILESO=C1CCC2CC1(F)C2
InChIInChI=1S/C7H9FO/c8-7-3-5(4-7)1-2-6(7)9/h5H,1-4H2
InChIKeyOKEXKQIBDKHYKG-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobicyclo[3.1.1]heptan-2-one?
The IUPAC name of 1-fluorobicyclo[3.1.1]heptan-2-one (CID 13265793) is 1-fluorobicyclo[3.1.1]heptan-2-one.
What is the SMILES notation for 1-fluorobicyclo[3.1.1]heptan-2-one?
The canonical SMILES for 1-fluorobicyclo[3.1.1]heptan-2-one is O=C1CCC2CC1(F)C2.
What is the InChIKey of 1-fluorobicyclo[3.1.1]heptan-2-one?
The InChIKey is OKEXKQIBDKHYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c8-7-3-5(4-7)1-2-6(7)9/h5H,1-4H2.
What are the key properties of 1-fluorobicyclo[3.1.1]heptan-2-one?
1-fluorobicyclo[3.1.1]heptan-2-one has a molecular weight of 128.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobicyclo[3.1.1]heptan-2-one is sourced from PubChem (CID 13265793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).