(3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide

C7H10F2N2O — CID 166937053

IUPAC(3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide
SMILESNC(=O)[C@@H]1C[C@@]2(CN1)CC2(F)F
InChIInChI=1S/C7H10F2N2O/c8-7(9)2-6(7)1-4(5(10)12)11-3-6/h4,11H,1-3H2,(H2,10,12)/t4-,6-/m0/s1
InChIKeyPABHHAABEUWUQQ-NJGYIYPDSA-N
MW176.17 g/mol
LogP-0.14
Rot. Bonds1

About (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide

(3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide (PubChem CID 166937053) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide.

Molecular Properties

Compound Name(3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide
PubChem CID166937053
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide
SMILESNC(=O)[C@@H]1C[C@@]2(CN1)CC2(F)F
InChIInChI=1S/C7H10F2N2O/c8-7(9)2-6(7)1-4(5(10)12)11-3-6/h4,11H,1-3H2,(H2,10,12)/t4-,6-/m0/s1
InChIKeyPABHHAABEUWUQQ-NJGYIYPDSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-N-methyl-5-azaspiro[2.4]heptane-6-carboxamide hydrochloride
CID 165946358
(2R)-2-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 139193732
4,4-difluoro-3,3-dimethyl-N-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 21042772
(S)-2-Difluoromethyl-pyrrolidine-2-carboxylic acid amide
CID 57420322
2-(Difluoromethyl)pyrrolidine-2-carboxamide
CID 68735936
5-(Trifluoromethyl)pyrrolidine-2-carboxamide
CID 84074108
3-(Trifluoromethyl)pyrrolidine-2-carboxamide
CID 84074436
4-(Trifluoromethyl)pyrrolidine-2-carboxamide
CID 130019838
(2S)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 141123758
3,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 143016813
(2S)-4-[(1S)-1-fluoroethyl]pyrrolidine-2-carboxamide
CID 143369831
4-Fluoro-4-(fluoromethyl)pyrrolidine-2-carboxamide
CID 162459701

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide?
The IUPAC name of (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide (CID 166937053) is (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide.
What is the SMILES notation for (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide?
The canonical SMILES for (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide is NC(=O)[C@@H]1C[C@@]2(CN1)CC2(F)F.
What is the InChIKey of (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide?
The InChIKey is PABHHAABEUWUQQ-NJGYIYPDSA-N. The full InChI is InChI=1S/C7H10F2N2O/c8-7(9)2-6(7)1-4(5(10)12)11-3-6/h4,11H,1-3H2,(H2,10,12)/t4-,6-/m0/s1.
What are the key properties of (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide?
(3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide has a molecular weight of 176.17 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxamide is sourced from PubChem (CID 166937053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).