7-fluoro-2-methyl-2-azaspiro[3.3]heptane

C7H12FN — CID 118974389

IUPAC7-fluoro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2F)C1
InChIInChI=1S/C7H12FN/c1-9-4-7(5-9)3-2-6(7)8/h6H,2-5H2,1H3
InChIKeyQPLXYUUOWRPSIA-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.05
Rot. Bonds

About 7-fluoro-2-methyl-2-azaspiro[3.3]heptane

7-fluoro-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 118974389) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 7-fluoro-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name7-fluoro-2-methyl-2-azaspiro[3.3]heptane
PubChem CID118974389
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name7-fluoro-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CCC2F)C1
InChIInChI=1S/C7H12FN/c1-9-4-7(5-9)3-2-6(7)8/h6H,2-5H2,1H3
InChIKeyQPLXYUUOWRPSIA-UHFFFAOYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 7-fluoro-2-methyl-2-azaspiro[3.3]heptane (CID 118974389) is 7-fluoro-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 7-fluoro-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 7-fluoro-2-methyl-2-azaspiro[3.3]heptane is CN1CC2(CCC2F)C1.
What is the InChIKey of 7-fluoro-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is QPLXYUUOWRPSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-9-4-7(5-9)3-2-6(7)8/h6H,2-5H2,1H3.
What are the key properties of 7-fluoro-2-methyl-2-azaspiro[3.3]heptane?
7-fluoro-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 129.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118974389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).