2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane

C6H9F2N — CID 129180153

IUPAC2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
SMILESCN1CC2(C1)CC2(F)F
InChIInChI=1S/C6H9F2N/c1-9-3-5(4-9)2-6(5,7)8/h2-4H2,1H3
InChIKeyYCGQKXYPVZIGIZ-UHFFFAOYSA-N
MW133.14 g/mol
LogP0.96
Rot. Bonds

About 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane

2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane (PubChem CID 129180153) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
PubChem CID129180153
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane
SMILESCN1CC2(C1)CC2(F)F
InChIInChI=1S/C6H9F2N/c1-9-3-5(4-9)2-6(5,7)8/h2-4H2,1H3
InChIKeyYCGQKXYPVZIGIZ-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89296536
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CID 155895873
ethane;1,3,5-trimethyl-3-azabicyclo[3.1.1]heptane
CID 177137532
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
3-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-6-methyl-6-azaspiro[3.4]octane;ethane
CID 177005779
6,6-difluoro-2-methyl-2,9-diazaspiro[4.5]decane
CID 129230219
8-methyl-5,6,8-triazadispiro[2.0.24.33]nonane
CID 126563217
ethane;2-methyl-2,7-diazaspiro[3.5]nonane
CID 143448801
2,2-difluoro-7-methyl-4-oxa-7-azaspiro[2.5]octane
CID 176682809
3-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-6-azaspiro[3.4]octane
CID 177005565
6-(difluoromethyl)-6-methoxy-2-methyl-2-azaspiro[3.3]heptane
CID 118974352

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane?
The IUPAC name of 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane (CID 129180153) is 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane.
What is the SMILES notation for 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane?
The canonical SMILES for 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane is CN1CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane?
The InChIKey is YCGQKXYPVZIGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c1-9-3-5(4-9)2-6(5,7)8/h2-4H2,1H3.
What are the key properties of 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane?
2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane has a molecular weight of 133.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyl-5-azaspiro[2.3]hexane is sourced from PubChem (CID 129180153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).