(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene

C7H9F2N — CID 162414798

IUPAC(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=C[C@]12NCCC2(F)F
InChIInChI=1S/C7H9F2N/c1-5-4-6(5)7(8,9)2-3-10-6/h4,10H,2-3H2,1H3/t6-/m0/s1
InChIKeySAQOQWVHMHHLCT-LURJTMIESA-N
MW145.15 g/mol
LogP1.31
Rot. Bonds

About (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene

(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene (PubChem CID 162414798) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
PubChem CID162414798
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
SMILESCC1=C[C@]12NCCC2(F)F
InChIInChI=1S/C7H9F2N/c1-5-4-6(5)7(8,9)2-3-10-6/h4,10H,2-3H2,1H3/t6-/m0/s1
InChIKeySAQOQWVHMHHLCT-LURJTMIESA-N
XLogP1.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7,7-Difluoro-1,2-dimethyl-4-azaspiro[2.4]hept-1-ene
CID 146640283
7,7-Difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene
CID 146640284
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(4Z)-2-ethyl-4-(fluoromethylidene)-2-methylpyrrolidine
CID 169184022
(4E)-4-(1-fluoro-3-methylbut-3-enylidene)-2,2-dimethylpyrrolidine
CID 174300924
3-(Difluoromethyl)-1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 177751513
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490119
2-Methyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 130564824
2-Ethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidine
CID 130564825
2-[(E)-4,4,5,5-tetrafluoropent-2-en-2-yl]pyrrolidine
CID 131420449
2-[4-(2,2-Difluorocyclopropyl)but-2-en-2-yl]pyrrolidine
CID 164649177
2-[1-(2,2-Difluorocyclopropyl)prop-1-en-2-yl]pyrrolidine
CID 164649192

Frequently Asked Questions

What is the IUPAC name of (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene (CID 162414798) is (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene is CC1=C[C@]12NCCC2(F)F.
What is the InChIKey of (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
The InChIKey is SAQOQWVHMHHLCT-LURJTMIESA-N. The full InChI is InChI=1S/C7H9F2N/c1-5-4-6(5)7(8,9)2-3-10-6/h4,10H,2-3H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene?
(3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene has a molecular weight of 145.15 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7,7-difluoro-2-methyl-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 162414798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).