(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol

C7H11F2NO — CID 131038105

IUPAC(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol
SMILESOCC12CNCCC1C2(F)F
InChIInChI=1S/C7H11F2NO/c8-7(9)5-1-2-10-3-6(5,7)4-11/h5,10-11H,1-4H2
InChIKeyCFFDQZNAJGTYRJ-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.22
Rot. Bonds1

About (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol

(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol (PubChem CID 131038105) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol.

Molecular Properties

Compound Name(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol
PubChem CID131038105
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol
SMILESOCC12CNCCC1C2(F)F
InChIInChI=1S/C7H11F2NO/c8-7(9)5-1-2-10-3-6(5,7)4-11/h5,10-11H,1-4H2
InChIKeyCFFDQZNAJGTYRJ-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol?
The IUPAC name of (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol (CID 131038105) is (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol.
What is the SMILES notation for (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol?
The canonical SMILES for (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol is OCC12CNCCC1C2(F)F.
What is the InChIKey of (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol?
The InChIKey is CFFDQZNAJGTYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)5-1-2-10-3-6(5,7)4-11/h5,10-11H,1-4H2.
What are the key properties of (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol?
(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol has a molecular weight of 163.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol is sourced from PubChem (CID 131038105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).