7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane

C12H17F2N — CID 167273016

IUPAC7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane
SMILESFC(F)=C1CC2(CCN(C3CC3)CC2)C1
InChIInChI=1S/C12H17F2N/c13-11(14)9-7-12(8-9)3-5-15(6-4-12)10-1-2-10/h10H,1-8H2
InChIKeyUBEFMWQBKYZQSB-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.18
Rot. Bonds1

About 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane

7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane (PubChem CID 167273016) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane
PubChem CID167273016
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane
SMILESFC(F)=C1CC2(CCN(C3CC3)CC2)C1
InChIInChI=1S/C12H17F2N/c13-11(14)9-7-12(8-9)3-5-15(6-4-12)10-1-2-10/h10H,1-8H2
InChIKeyUBEFMWQBKYZQSB-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane (CID 167273016) is 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane is FC(F)=C1CC2(CCN(C3CC3)CC2)C1.
What is the InChIKey of 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane?
The InChIKey is UBEFMWQBKYZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c13-11(14)9-7-12(8-9)3-5-15(6-4-12)10-1-2-10/h10H,1-8H2.
What are the key properties of 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane?
7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane has a molecular weight of 213.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 167273016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).