2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane

C12H19F2N — CID 171838746

IUPAC2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane
SMILESFC1(F)CC2(CN(C3CCCCC3)C2)C1
InChIInChI=1S/C12H19F2N/c13-12(14)6-11(7-12)8-15(9-11)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyKGCSCHKUPFVBCX-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.05
Rot. Bonds1

About 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane

2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane (PubChem CID 171838746) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane
PubChem CID171838746
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane
SMILESFC1(F)CC2(CN(C3CCCCC3)C2)C1
InChIInChI=1S/C12H19F2N/c13-12(14)6-11(7-12)8-15(9-11)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyKGCSCHKUPFVBCX-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
1-cycloheptyl-3-cyclopropylazetidin-3-amine
CID 82925594
2-cycloheptyl-2,8-diazaspiro[4.5]decane
CID 82476519
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
1-cyclobutyl-4,4-difluoropiperidine
CID 91599149
2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
8-cyclohexyl-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
CID 168907021
2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 158091515
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylazocane
CID 23151203
2-cyclobutyl-2,6-diazaspiro[3.3]heptane;dihydrochloride
CID 167729280

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane?
The IUPAC name of 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane (CID 171838746) is 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane is FC1(F)CC2(CN(C3CCCCC3)C2)C1.
What is the InChIKey of 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane?
The InChIKey is KGCSCHKUPFVBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N/c13-12(14)6-11(7-12)8-15(9-11)10-4-2-1-3-5-10/h10H,1-9H2.
What are the key properties of 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane?
2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane has a molecular weight of 215.29 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane is sourced from PubChem (CID 171838746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).