2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane

C10H17F2N — CID 140929435

IUPAC2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane
SMILESCC(C)(C)N1CC2(CCC2(F)F)C1
InChIInChI=1S/C10H17F2N/c1-8(2,3)13-6-9(7-13)4-5-10(9,11)12/h4-7H2,1-3H3
InChIKeyJIDQWLWUECBJCR-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.52
Rot. Bonds

About 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane

2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane (PubChem CID 140929435) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane
PubChem CID140929435
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane
SMILESCC(C)(C)N1CC2(CCC2(F)F)C1
InChIInChI=1S/C10H17F2N/c1-8(2,3)13-6-9(7-13)4-5-10(9,11)12/h4-7H2,1-3H3
InChIKeyJIDQWLWUECBJCR-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.52
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
6,6-Difluoro-2-methyl-2-azaspiro[3.3]heptane
CID 118673551
7,7-Difluoro-2-methyl-2-azaspiro[3.3]heptane
CID 118974388
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
6-Fluoro-2,6-dimethyl-2-azaspiro[3.3]heptane
CID 121313305
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-7,7-difluoro-2-azaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane (CID 140929435) is 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane is CC(C)(C)N1CC2(CCC2(F)F)C1.
What is the InChIKey of 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane?
The InChIKey is JIDQWLWUECBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2,3)13-6-9(7-13)4-5-10(9,11)12/h4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane?
2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane has a molecular weight of 189.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,7-difluoro-2-azaspiro[3.3]heptane is sourced from PubChem (CID 140929435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).