3,3-difluoro-1-azabicyclo[3.2.0]heptane

C6H9F2N — CID 170594672

IUPAC3,3-difluoro-1-azabicyclo[3.2.0]heptane
SMILESFC1(F)CC2CCN2C1
InChIInChI=1S/C6H9F2N/c7-6(8)3-5-1-2-9(5)4-6/h5H,1-4H2
InChIKeyINNZASFKNDFQSX-UHFFFAOYSA-N
MW133.14 g/mol
LogP1.10
Rot. Bonds

About 3,3-difluoro-1-azabicyclo[3.2.0]heptane

3,3-difluoro-1-azabicyclo[3.2.0]heptane (PubChem CID 170594672) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 3,3-difluoro-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3,3-difluoro-1-azabicyclo[3.2.0]heptane
PubChem CID170594672
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name3,3-difluoro-1-azabicyclo[3.2.0]heptane
SMILESFC1(F)CC2CCN2C1
InChIInChI=1S/C6H9F2N/c7-6(8)3-5-1-2-9(5)4-6/h5H,1-4H2
InChIKeyINNZASFKNDFQSX-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
1-[(1R)-3,3-difluorocyclopentyl]-3-(3,3-difluorocyclopentyl)-1,3,5-triazinane
CID 162556334
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350
6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine
CID 177126248
1-(3,3-difluorocyclobutyl)piperazine
CID 126739503
(3S,8aS)-7,7-difluoro-3-propan-2-yl-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 126844182
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-azabicyclo[3.2.0]heptane?
The IUPAC name of 3,3-difluoro-1-azabicyclo[3.2.0]heptane (CID 170594672) is 3,3-difluoro-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 3,3-difluoro-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for 3,3-difluoro-1-azabicyclo[3.2.0]heptane is FC1(F)CC2CCN2C1.
What is the InChIKey of 3,3-difluoro-1-azabicyclo[3.2.0]heptane?
The InChIKey is INNZASFKNDFQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)3-5-1-2-9(5)4-6/h5H,1-4H2.
What are the key properties of 3,3-difluoro-1-azabicyclo[3.2.0]heptane?
3,3-difluoro-1-azabicyclo[3.2.0]heptane has a molecular weight of 133.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 170594672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).