7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane

C7H12FN — CID 176557058

IUPAC7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC1(F)C2CCNCC21
InChIInChI=1S/C7H12FN/c1-7(8)5-2-3-9-4-6(5)7/h5-6,9H,2-4H2,1H3
InChIKeyIFWSWPPNNXSDIP-UHFFFAOYSA-N
MW129.18 g/mol
LogP0.95
Rot. Bonds

About 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane

7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 176557058) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID176557058
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane
SMILESCC1(F)C2CCNCC21
InChIInChI=1S/C7H12FN/c1-7(8)5-2-3-9-4-6(5)7/h5-6,9H,2-4H2,1H3
InChIKeyIFWSWPPNNXSDIP-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane (CID 176557058) is 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane is CC1(F)C2CCNCC21.
What is the InChIKey of 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is IFWSWPPNNXSDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-7(8)5-2-3-9-4-6(5)7/h5-6,9H,2-4H2,1H3.
What are the key properties of 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane?
7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 129.18 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-7-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176557058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).