6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane

C10H17FN2 — CID 118974480

IUPAC6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CC(N3CC(F)C3)C2)C1
InChIInChI=1S/C10H17FN2/c1-12-6-10(7-12)2-9(3-10)13-4-8(11)5-13/h8-9H,2-7H2,1H3
InChIKeyKSMSJHKBVHDYOK-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.73
Rot. Bonds1

About 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane

6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane (PubChem CID 118974480) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
PubChem CID118974480
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
SMILESCN1CC2(CC(N3CC(F)C3)C2)C1
InChIInChI=1S/C10H17FN2/c1-12-6-10(7-12)2-9(3-10)13-4-8(11)5-13/h8-9H,2-7H2,1H3
InChIKeyKSMSJHKBVHDYOK-UHFFFAOYSA-N
XLogP0.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-N,2-dimethyl-2-azaspiro[3.3]heptan-6-amine
CID 118974449
N,2-dimethyl-N-(2,2,2-trifluoroethyl)-2-azaspiro[3.3]heptan-6-amine
CID 118974451
6-(3,3-Difluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
CID 118974481
2-Tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
CID 121308232
1-(2,2-Dimethylpropyl)-3-[3-(3-fluoroazetidin-1-yl)-2,2-dimethylpropyl]azetidine
CID 126684491
2-Tert-butyl-6-(3-fluoro-3-methylazetidin-1-yl)-2-azaspiro[3.3]heptane
CID 132040801
2-Tert-butyl-6-fluoro-2-azaspiro[3.3]heptane
CID 132046341
(2S)-1-(7,7-difluoro-2-azaspiro[3.3]heptan-2-yl)-N,N-diethylpropan-2-amine
CID 134540153
6,6-Difluoro-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 141699428
7,7-Difluoro-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 153592482
1-Tert-butyl-3-[2-(3-fluoroazetidin-1-yl)-2-methylpropyl]azetidine
CID 156461129
6-Fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane (CID 118974480) is 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane is CN1CC2(CC(N3CC(F)C3)C2)C1.
What is the InChIKey of 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
The InChIKey is KSMSJHKBVHDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-12-6-10(7-12)2-9(3-10)13-4-8(11)5-13/h8-9H,2-7H2,1H3.
What are the key properties of 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane?
6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane has a molecular weight of 184.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118974480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).