3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide

C12H17F2NO — CID 126794086

IUPAC3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC1CC12CC2)C1CCC(F)(F)C1
InChIInChI=1S/C12H17F2NO/c13-12(14)2-1-8(5-12)10(16)15-7-9-6-11(9)3-4-11/h8-9H,1-7H2,(H,15,16)
InChIKeyGAUXLGZOKNXSCI-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.34
Rot. Bonds3

About 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide

3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 126794086) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide
PubChem CID126794086
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC1CC12CC2)C1CCC(F)(F)C1
InChIInChI=1S/C12H17F2NO/c13-12(14)2-1-8(5-12)10(16)15-7-9-6-11(9)3-4-11/h8-9H,1-7H2,(H,15,16)
InChIKeyGAUXLGZOKNXSCI-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424015
(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 164636755
N-(2,2,2-trifluoroethyl)cyclopentanecarboxamide
CID 17901261
1-ethyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 71111906
N-(2,2-difluoroethyl)cyclopentanecarboxamide
CID 89649928
N-ethyl-3,3-difluorocyclopentane-1-carboxamide
CID 124134213
1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 143709849
N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide
CID 146435527
2-tert-butyl-N-(2,2-difluoroethyl)-4,4-dimethylpentanamide
CID 155053224
2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 155053282
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 163592368
2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane
CID 164555511

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide (CID 126794086) is 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide is O=C(NCC1CC12CC2)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is GAUXLGZOKNXSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-12(14)2-1-8(5-12)10(16)15-7-9-6-11(9)3-4-11/h8-9H,1-7H2,(H,15,16).
What are the key properties of 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide?
3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 229.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 126794086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).