2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane

C6H10F2N2 — CID 156640035

IUPAC2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane
SMILESCN1CCC2(C1)NC2(F)F
InChIInChI=1S/C6H10F2N2/c1-10-3-2-5(4-10)6(7,8)9-5/h9H,2-4H2,1H3
InChIKeySMCBYASBORONIO-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.26
Rot. Bonds

About 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane

2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane (PubChem CID 156640035) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane
PubChem CID156640035
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane
SMILESCN1CCC2(C1)NC2(F)F
InChIInChI=1S/C6H10F2N2/c1-10-3-2-5(4-10)6(7,8)9-5/h9H,2-4H2,1H3
InChIKeySMCBYASBORONIO-UHFFFAOYSA-N
XLogP0.26
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrrolidin-3-amine dihydrochloride
CID 165477638
N,N-dimethyl-3-(trifluoromethyl)pyrrolidin-3-amine dihydrochloride
CID 165881814
1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 63898474
1-Methyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 63898672
3-(Difluoromethyl)-1-methylpyrrolidin-3-amine
CID 80605013
3-(Trifluoromethyl)pyrrolidin-3-amine
CID 90066320
3-(Fluoromethyl)-1-methylpyrrolidin-3-amine
CID 115011259
3-(Difluoromethyl)pyrrolidin-3-amine
CID 115011297
3-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
CID 117709652
4,4-Difluoro-1,3-dimethylpyrrolidin-3-amine
CID 156640031
1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 166167059
(3R)-N-(2,2-difluoroethyl)-N,3-dimethylpyrrolidin-3-amine
CID 176350353

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane?
The IUPAC name of 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane (CID 156640035) is 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane.
What is the SMILES notation for 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane?
The canonical SMILES for 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane is CN1CCC2(C1)NC2(F)F.
What is the InChIKey of 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane?
The InChIKey is SMCBYASBORONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-10-3-2-5(4-10)6(7,8)9-5/h9H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane?
2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane has a molecular weight of 148.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-1,6-diazaspiro[2.4]heptane is sourced from PubChem (CID 156640035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).