N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide

C9H14FNO — CID 126996520

IUPACN-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide
SMILESO=C(NCCF)C1CC12CCC2
InChIInChI=1S/C9H14FNO/c10-4-5-11-8(12)7-6-9(7)2-1-3-9/h7H,1-6H2,(H,11,12)
InChIKeyROBIAIVVCDHCDD-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.26
Rot. Bonds3

About N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide

N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide (PubChem CID 126996520) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide
PubChem CID126996520
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC NameN-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide
SMILESO=C(NCCF)C1CC12CCC2
InChIInChI=1S/C9H14FNO/c10-4-5-11-8(12)7-6-9(7)2-1-3-9/h7H,1-6H2,(H,11,12)
InChIKeyROBIAIVVCDHCDD-UHFFFAOYSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.26
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
(2R)-N-ethyl-2-(3-fluoro-3-methylcyclobutyl)propanamide
CID 156093161
(2R)-N-ethyl-2-(3-fluorocyclobutyl)propanamide
CID 156093508
(2S)-N-ethyl-2-(1-fluorocyclobutyl)propanamide
CID 156093514
N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide
CID 164556090
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
CID 171608667
N-(2-fluorospiro[2.3]hexan-5-yl)-3-methylbutanamide
CID 176804032
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 113629938
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
N-(1-fluoropropan-2-yl)spiro[2.3]hexane-2-carboxamide
CID 130638395
2-(2,2-difluorocyclopropyl)-N-[(1-isobutylcyclobutyl)methyl]acetamide
CID 131929166

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide (CID 126996520) is N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide is O=C(NCCF)C1CC12CCC2.
What is the InChIKey of N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide?
The InChIKey is ROBIAIVVCDHCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-4-5-11-8(12)7-6-9(7)2-1-3-9/h7H,1-6H2,(H,11,12).
What are the key properties of N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide?
N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide has a molecular weight of 171.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 126996520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).