(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one

C7H8F2O — CID 100961369

IUPAC(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one
SMILESO=C1[C@H]2CC[C@@H]1[C@H](F)[C@@H]2F
InChIInChI=1S/C7H8F2O/c8-5-3-1-2-4(6(5)9)7(3)10/h3-6H,1-2H2/t3-,4+,5+,6-
InChIKeyMBJGNPTUMRYILC-GUCUJZIJSA-N
MW146.14 g/mol
LogP1.27
Rot. Bonds

About (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one

(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one (PubChem CID 100961369) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one.

Molecular Properties

Compound Name(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one
PubChem CID100961369
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one
SMILESO=C1[C@H]2CC[C@@H]1[C@H](F)[C@@H]2F
InChIInChI=1S/C7H8F2O/c8-5-3-1-2-4(6(5)9)7(3)10/h3-6H,1-2H2/t3-,4+,5+,6-
InChIKeyMBJGNPTUMRYILC-GUCUJZIJSA-N
XLogP1.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one?
The IUPAC name of (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one (CID 100961369) is (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one.
What is the SMILES notation for (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one?
The canonical SMILES for (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one is O=C1[C@H]2CC[C@@H]1[C@H](F)[C@@H]2F.
What is the InChIKey of (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one?
The InChIKey is MBJGNPTUMRYILC-GUCUJZIJSA-N. The full InChI is InChI=1S/C7H8F2O/c8-5-3-1-2-4(6(5)9)7(3)10/h3-6H,1-2H2/t3-,4+,5+,6-.
What are the key properties of (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one?
(1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one has a molecular weight of 146.14 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-2,3-difluorobicyclo[2.2.1]heptan-7-one is sourced from PubChem (CID 100961369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).