N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide

C8H11F2NO — CID 164556090

IUPACN-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide
SMILESCCNC(=O)C1C(F)(F)C12CC2
InChIInChI=1S/C8H11F2NO/c1-2-11-6(12)5-7(3-4-7)8(5,9)10/h5H,2-4H2,1H3,(H,11,12)
InChIKeyNLJJKUCTGAAJAK-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.17
Rot. Bonds2

About N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide

N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide (PubChem CID 164556090) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide
PubChem CID164556090
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide
SMILESCCNC(=O)C1C(F)(F)C12CC2
InChIInChI=1S/C8H11F2NO/c1-2-11-6(12)5-7(3-4-7)8(5,9)10/h5H,2-4H2,1H3,(H,11,12)
InChIKeyNLJJKUCTGAAJAK-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580420
N-(2-fluoroethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 11424015
3,3-difluoro-N-(spiro[2.2]pentan-2-ylmethyl)cyclopentane-1-carboxamide
CID 126794086
(2S)-N-[(3,3-difluorocyclobutyl)methyl]spiro[2.2]pentane-2-carboxamide
CID 164636755
2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 89141345
4-methyl-2-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 89141406
N-(2,2-difluorocyclopropyl)-2-ethylpentanamide
CID 145690326
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
(2R)-2-(3,3-difluorocyclobutyl)-N-ethylpropanamide
CID 156093271
N-(3-tert-butylcyclobutyl)-2,2-difluorocyclopropane-1-carboxamide
CID 156532114

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide?
The IUPAC name of N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide (CID 164556090) is N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide.
What is the SMILES notation for N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide?
The canonical SMILES for N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide is CCNC(=O)C1C(F)(F)C12CC2.
What is the InChIKey of N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide?
The InChIKey is NLJJKUCTGAAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-2-11-6(12)5-7(3-4-7)8(5,9)10/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide?
N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide has a molecular weight of 175.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide is sourced from PubChem (CID 164556090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).