3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane

C13H22F2N2 — CID 177006225

IUPAC3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane
SMILESCN1CCC2(CCC2N2CCC(C(F)F)C2)C1
InChIInChI=1S/C13H22F2N2/c1-16-7-5-13(9-16)4-2-11(13)17-6-3-10(8-17)12(14)15/h10-12H,2-9H2,1H3
InChIKeyQEUNDHJVJNBSQX-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.06
Rot. Bonds2

About 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane

3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane (PubChem CID 177006225) has the molecular formula C13H22F2N2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane
PubChem CID177006225
Molecular FormulaC13H22F2N2
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane
SMILESCN1CCC2(CCC2N2CCC(C(F)F)C2)C1
InChIInChI=1S/C13H22F2N2/c1-16-7-5-13(9-16)4-2-11(13)17-6-3-10(8-17)12(14)15/h10-12H,2-9H2,1H3
InChIKeyQEUNDHJVJNBSQX-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane (CID 177006225) is 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane is CN1CCC2(CCC2N2CCC(C(F)F)C2)C1.
What is the InChIKey of 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane?
The InChIKey is QEUNDHJVJNBSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2/c1-16-7-5-13(9-16)4-2-11(13)17-6-3-10(8-17)12(14)15/h10-12H,2-9H2,1H3.
What are the key properties of 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane?
3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane has a molecular weight of 244.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)pyrrolidin-1-yl]-6-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 177006225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).