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

C11H20FN — CID 121308232

IUPAC2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
SMILESCC1(F)CC2(CN(C(C)(C)C)C2)C1
InChIInChI=1S/C11H20FN/c1-9(2,3)13-7-11(8-13)5-10(4,12)6-11/h5-8H2,1-4H3
InChIKeyMFIMEAPKZWYTBT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds

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

2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane (PubChem CID 121308232) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
PubChem CID121308232
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane
SMILESCC1(F)CC2(CN(C(C)(C)C)C2)C1
InChIInChI=1S/C11H20FN/c1-9(2,3)13-7-11(8-13)5-10(4,12)6-11/h5-8H2,1-4H3
InChIKeyMFIMEAPKZWYTBT-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-Dimethylpentyl)-3-fluoroazetidine
CID 57979627
2-Tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
7-Fluoro-2-methyl-2-azaspiro[3.3]heptane
CID 118974389
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-Fluoro-2-methyl-2-azaspiro[3.3]heptane
CID 118974473
6-(3-Fluoroazetidin-1-yl)-2-methyl-2-azaspiro[3.3]heptane
CID 118974480
6-Fluoro-2,6-dimethyl-2-azaspiro[3.3]heptane
CID 121313305
3-Fluoro-1-[(3-methylcyclobutyl)methyl]azetidine
CID 123383797
2-Tert-butyl-6-(3-fluoro-3-methylazetidin-1-yl)-2-azaspiro[3.3]heptane
CID 132040801
2-Tert-butyl-7-fluoro-7-methyl-2-azaspiro[3.3]heptane
CID 132040807
2-(2,2,2-Trifluoroethyl)-2-azaspiro[3.3]heptane
CID 132041172

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane (CID 121308232) is 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane is CC1(F)CC2(CN(C(C)(C)C)C2)C1.
What is the InChIKey of 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
The InChIKey is MFIMEAPKZWYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2,3)13-7-11(8-13)5-10(4,12)6-11/h5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane?
2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane has a molecular weight of 185.29 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-fluoro-6-methyl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 121308232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).