4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane

C12H21F2N — CID 67986664

IUPAC4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCCC2(F)F)CC1
InChIInChI=1S/C12H21F2N/c1-10(2)15-8-6-11(7-9-15)4-3-5-12(11,13)14/h10H,3-9H2,1-2H3
InChIKeyOUSMZFSXFIQIHZ-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.30
Rot. Bonds1

About 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane

4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane (PubChem CID 67986664) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane
PubChem CID67986664
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane
SMILESCC(C)N1CCC2(CCCC2(F)F)CC1
InChIInChI=1S/C12H21F2N/c1-10(2)15-8-6-11(7-9-15)4-3-5-12(11,13)14/h10H,3-9H2,1-2H3
InChIKeyOUSMZFSXFIQIHZ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane?
The IUPAC name of 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane (CID 67986664) is 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane.
What is the SMILES notation for 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane?
The canonical SMILES for 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane is CC(C)N1CCC2(CCCC2(F)F)CC1.
What is the InChIKey of 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane?
The InChIKey is OUSMZFSXFIQIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-10(2)15-8-6-11(7-9-15)4-3-5-12(11,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane?
4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane has a molecular weight of 217.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-8-propan-2-yl-8-azaspiro[4.5]decane is sourced from PubChem (CID 67986664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).