2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane

C12H20FN — CID 176805063

IUPAC2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane
SMILESCC(F)=C1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C12H20FN/c1-9(13)10-5-12(6-10)7-14(8-12)11(2,3)4/h5-8H2,1-4H3
InChIKeyVFHZOFNETRWWBU-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.12
Rot. Bonds

About 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane

2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane (PubChem CID 176805063) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane
PubChem CID176805063
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane
SMILESCC(F)=C1CC2(C1)CN(C(C)(C)C)C2
InChIInChI=1S/C12H20FN/c1-9(13)10-5-12(6-10)7-14(8-12)11(2,3)4/h5-8H2,1-4H3
InChIKeyVFHZOFNETRWWBU-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-tert-butyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 118441648
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane
CID 166840997
1-tert-butyl-3,3-dimethylazetidine
CID 14090352
2,8-ditert-butyl-6-oxa-2,8-diazaspiro[3.5]nonane
CID 170939545
2-tert-butyl-2,7-diazaspiro[4.4]nonan-8-one
CID 121450254
6-tert-butyl-2-methylsulfonyl-2,6-diazaspiro[3.3]heptane
CID 170420614
5-tert-butyl-3a,6a-difluoro-2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 176993044
2,8-ditert-butyl-2,8-diazaspiro[4.5]decan-3-one
CID 164762663
1,4-ditert-butyl-3,3,5,5-tetrafluoropiperidine
CID 177072830
2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
CID 172511742

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane (CID 176805063) is 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane is CC(F)=C1CC2(C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane?
The InChIKey is VFHZOFNETRWWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-9(13)10-5-12(6-10)7-14(8-12)11(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane?
2-tert-butyl-6-(1-fluoroethylidene)-2-azaspiro[3.3]heptane has a molecular weight of 197.30 g/mol, XLogP of 3.12, 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-(1-fluoroethylidene)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 176805063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).