6-fluoro-6-methyl-2-azaspiro[3.3]heptane

C7H12FN — CID 118185512

IUPAC6-fluoro-6-methyl-2-azaspiro[3.3]heptane
SMILESCC1(F)CC2(CNC2)C1
InChIInChI=1S/C7H12FN/c1-6(8)2-7(3-6)4-9-5-7/h9H,2-5H2,1H3
InChIKeyDHTPDDPSFLPEPS-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.10
Rot. Bonds

About 6-fluoro-6-methyl-2-azaspiro[3.3]heptane

6-fluoro-6-methyl-2-azaspiro[3.3]heptane (PubChem CID 118185512) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 6-fluoro-6-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-fluoro-6-methyl-2-azaspiro[3.3]heptane
PubChem CID118185512
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name6-fluoro-6-methyl-2-azaspiro[3.3]heptane
SMILESCC1(F)CC2(CNC2)C1
InChIInChI=1S/C7H12FN/c1-6(8)2-7(3-6)4-9-5-7/h9H,2-5H2,1H3
InChIKeyDHTPDDPSFLPEPS-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azaspiro(3.3)heptane
CID 20521856
2-Azaspiro[3.3]heptane hydrochloride
CID 71741940
6,6-Difluoro-2-azaspiro(3.3)heptane hydrochloride
CID 71756884
6-Fluoro-2-azaspiro(3.3)heptane hydrochloride
CID 71757081
6-Methyl-2-azaspiro[3.3]heptane hydrochloride
CID 134129720
6-(Trifluoromethyl)-2-azaspiro(3.3)heptane hydrochloride
CID 136549601
6-(Difluoromethyl)-2-azaspiro(3.3)heptane hydrochloride
CID 146049574
6,6-Difluoro-2-azaspiro[3.3]heptane
CID 54595502
6-Fluoro-2-azaspiro[3.3]heptane
CID 54595511
5,5-Difluoro-2-azaspiro[3.3]heptane
CID 71306266
6-Fluoro-6-methyl-2-azaspiro(3.3)heptane hydrochloride
CID 146049503
6-Methyl-2-azaspiro[3.3]heptane
CID 60038607

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane (CID 118185512) is 6-fluoro-6-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-fluoro-6-methyl-2-azaspiro[3.3]heptane is CC1(F)CC2(CNC2)C1.
What is the InChIKey of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
The InChIKey is DHTPDDPSFLPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-6(8)2-7(3-6)4-9-5-7/h9H,2-5H2,1H3.
What are the key properties of 6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
6-fluoro-6-methyl-2-azaspiro[3.3]heptane has a molecular weight of 129.18 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118185512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).