6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

C9H14F2N2 — CID 140853702

IUPAC6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)CN(CC2C3CNCC32)C1
InChIInChI=1S/C9H14F2N2/c10-9(11)4-13(5-9)3-8-6-1-12-2-7(6)8/h6-8,12H,1-5H2
InChIKeyABBVZUMZIRGSEZ-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.40
Rot. Bonds2

About 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane

6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 140853702) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID140853702
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)CN(CC2C3CNCC32)C1
InChIInChI=1S/C9H14F2N2/c10-9(11)4-13(5-9)3-8-6-1-12-2-7(6)8/h6-8,12H,1-5H2
InChIKeyABBVZUMZIRGSEZ-UHFFFAOYSA-N
XLogP0.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
(1r,5s,6s)-6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 47003426
(1R,5S,6R)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 146049579
6-(Trifluoromethyl)-3-azabicyclo[3.1.0]hexane hydrochloride
CID 47003425
2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
CID 66774983
N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
CID 66775078
2-ethyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
CID 66775934
N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pentan-1-amine
CID 66776214
4-[(3,3-Difluoropyrrolidin-1-yl)methyl]piperidine
CID 68643611
[3-(3,3,3-Trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 90353584
1-cyclopropyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]methanamine
CID 90353684

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 140853702) is 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane is FC1(F)CN(CC2C3CNCC32)C1.
What is the InChIKey of 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is ABBVZUMZIRGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c10-9(11)4-13(5-9)3-8-6-1-12-2-7(6)8/h6-8,12H,1-5H2.
What are the key properties of 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane?
6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 188.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluoroazetidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 140853702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).