2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane

C10H17F2N — CID 130621001

IUPAC2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane
SMILESCCC(C)N1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C10H17F2N/c1-3-8(2)13-6-9(7-13)4-10(11,12)5-9/h8H,3-7H2,1-2H3
InChIKeyWEBDPPMZDBQIGH-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.52
Rot. Bonds2

About 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane

2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane (PubChem CID 130621001) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane
PubChem CID130621001
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane
SMILESCCC(C)N1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C10H17F2N/c1-3-8(2)13-6-9(7-13)4-10(11,12)5-9/h8H,3-7H2,1-2H3
InChIKeyWEBDPPMZDBQIGH-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane?
The IUPAC name of 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane (CID 130621001) is 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane is CCC(C)N1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane?
The InChIKey is WEBDPPMZDBQIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-3-8(2)13-6-9(7-13)4-10(11,12)5-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane?
2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane has a molecular weight of 189.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6,6-difluoro-2-azaspiro[3.3]heptane is sourced from PubChem (CID 130621001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).