6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane

C10H17F2N — CID 167340198

IUPAC6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(CC(C(F)F)C2)C1
InChIInChI=1S/C10H17F2N/c1-7(2)13-5-10(6-13)3-8(4-10)9(11)12/h7-9H,3-6H2,1-2H3
InChIKeyAMODKOVVGQLWEB-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.37
Rot. Bonds2

About 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane

6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane (PubChem CID 167340198) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane
PubChem CID167340198
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(CC(C(F)F)C2)C1
InChIInChI=1S/C10H17F2N/c1-7(2)13-5-10(6-13)3-8(4-10)9(11)12/h7-9H,3-6H2,1-2H3
InChIKeyAMODKOVVGQLWEB-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane;ethane
CID 172624374
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
6-fluoro-6-methyl-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 156813146
6-propan-2-yl-2-propan-2-yloxy-2,6-diazaspiro[3.3]heptane
CID 177281927
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane (CID 167340198) is 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane is CC(C)N1CC2(CC(C(F)F)C2)C1.
What is the InChIKey of 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
The InChIKey is AMODKOVVGQLWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)13-5-10(6-13)3-8(4-10)9(11)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane?
6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane has a molecular weight of 189.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 167340198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).