3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane

C9H18F2N2 — CID 170572077

IUPAC3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
SMILESCC.CN1CCC2(C1)NCC2(F)F
InChIInChI=1S/C7H12F2N2.C2H6/c1-11-3-2-6(5-11)7(8,9)4-10-6;1-2/h10H,2-5H2,1H3;1-2H3
InChIKeyBOSJJCPIDIVXRU-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.33
Rot. Bonds

About 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane

3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane (PubChem CID 170572077) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane.

Molecular Properties

Compound Name3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
PubChem CID170572077
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane
SMILESCC.CN1CCC2(C1)NCC2(F)F
InChIInChI=1S/C7H12F2N2.C2H6/c1-11-3-2-6(5-11)7(8,9)4-10-6;1-2/h10H,2-5H2,1H3;1-2H3
InChIKeyBOSJJCPIDIVXRU-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-1,6-diazaspiro(3.4)octane
CID 68237458
3-(Azetidin-1-yl)-3-methylpyrrolidine
CID 131500243
3,3-Difluoro-1,6-diazaspiro[3,4]octane
CID 58293346
2,2,2-trifluoro-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775663
3-Ethyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-amine
CID 117706296
3-Ethyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-amine
CID 117709649
N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]-N,2-dimethylpropan-2-amine
CID 124167619
(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126573374
(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 126580701
3,3-Difluoro-1,7-diazaspiro[3.4]octane;dihydrochloride
CID 141287967
3-[2-(3,3-Difluoroazetidin-1-yl)ethyl]pyrrolidine
CID 145259611
(3S)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 156076635

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane?
The IUPAC name of 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane (CID 170572077) is 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane.
What is the SMILES notation for 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane?
The canonical SMILES for 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane is CC.CN1CCC2(C1)NCC2(F)F.
What is the InChIKey of 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane?
The InChIKey is BOSJJCPIDIVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2.C2H6/c1-11-3-2-6(5-11)7(8,9)4-10-6;1-2/h10H,2-5H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane?
3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane has a molecular weight of 192.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-7-methyl-1,7-diazaspiro[3.4]octane;ethane is sourced from PubChem (CID 170572077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).