1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane

C9H15F2N — CID 126845342

IUPAC1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane
SMILESCCC1C(F)(F)C12CCCNC2
InChIInChI=1S/C9H15F2N/c1-2-7-8(9(7,10)11)4-3-5-12-6-8/h7,12H,2-6H2,1H3
InChIKeyGCUKLWMZDHMCQN-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.03
Rot. Bonds1

About 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane

1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane (PubChem CID 126845342) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane
PubChem CID126845342
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane
SMILESCCC1C(F)(F)C12CCCNC2
InChIInChI=1S/C9H15F2N/c1-2-7-8(9(7,10)11)4-3-5-12-6-8/h7,12H,2-6H2,1H3
InChIKeyGCUKLWMZDHMCQN-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,2-difluoro-6-azaspiro[2.4]heptane;hydrochloride
CID 126845339
1-ethyl-2,2-difluoro-7-azaspiro[2.6]nonane
CID 126845358
2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane
CID 126845507
3-fluoro-3-propylpiperidine
CID 83815245
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3-(3-ethylcyclohexyl)-3-fluoropiperidine
CID 112562974
3,3-difluoroazepane;ethane
CID 142117389
3-tert-butyl-3-ethylpiperidine
CID 89426414
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
N-[(3-ethylpiperidin-3-yl)methyl]propan-2-amine
CID 63133337
3-cyclopropyl-3-ethylpiperidine
CID 64919354

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane?
The IUPAC name of 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane (CID 126845342) is 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane.
What is the SMILES notation for 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane?
The canonical SMILES for 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane is CCC1C(F)(F)C12CCCNC2.
What is the InChIKey of 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane?
The InChIKey is GCUKLWMZDHMCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-7-8(9(7,10)11)4-3-5-12-6-8/h7,12H,2-6H2,1H3.
What are the key properties of 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane?
1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane has a molecular weight of 175.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-difluoro-7-azaspiro[2.5]octane is sourced from PubChem (CID 126845342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).