7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane

C9H16FN — CID 105430757

IUPAC7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane
SMILESCC(C)(F)C1C2CCCNC21
InChIInChI=1S/C9H16FN/c1-9(2,10)7-6-4-3-5-11-8(6)7/h6-8,11H,3-5H2,1-2H3
InChIKeyYPWOVHUHKMWTHP-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.73
Rot. Bonds1

About 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane

7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane (PubChem CID 105430757) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane
PubChem CID105430757
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane
SMILESCC(C)(F)C1C2CCCNC21
InChIInChI=1S/C9H16FN/c1-9(2,10)7-6-4-3-5-11-8(6)7/h6-8,11H,3-5H2,1-2H3
InChIKeyYPWOVHUHKMWTHP-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane (CID 105430757) is 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane is CC(C)(F)C1C2CCCNC21.
What is the InChIKey of 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is YPWOVHUHKMWTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(2,10)7-6-4-3-5-11-8(6)7/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane?
7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane has a molecular weight of 157.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoropropan-2-yl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 105430757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).