N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide

C9H14FNO2 — CID 131041497

IUPACN-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide
SMILESO=C1CCC(C(=O)NCCF)CC1
InChIInChI=1S/C9H14FNO2/c10-5-6-11-9(13)7-1-3-8(12)4-2-7/h7H,1-6H2,(H,11,13)
InChIKeyDFBPLRMXQKNLHT-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.83
Rot. Bonds3

About N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide

N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide (PubChem CID 131041497) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide
PubChem CID131041497
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC NameN-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide
SMILESO=C1CCC(C(=O)NCCF)CC1
InChIInChI=1S/C9H14FNO2/c10-5-6-11-9(13)7-1-3-8(12)4-2-7/h7H,1-6H2,(H,11,13)
InChIKeyDFBPLRMXQKNLHT-UHFFFAOYSA-N
XLogP0.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-oxocyclohexanecarbonyl)amino]ethanesulfonic acid
CID 121297143
N-(cyanomethyl)-4-oxocyclohexane-1-carboxamide
CID 130606500
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
CID 115150493
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 131131570
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
N-[(5-bromo-2-methylphenyl)methyl]-4-oxocyclohexane-1-carboxamide
CID 115150434
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-oxocyclohexane-1-carboxamide
CID 112528606
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide (CID 131041497) is N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide is O=C1CCC(C(=O)NCCF)CC1.
What is the InChIKey of N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide?
The InChIKey is DFBPLRMXQKNLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-5-6-11-9(13)7-1-3-8(12)4-2-7/h7H,1-6H2,(H,11,13).
What are the key properties of N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide?
N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide has a molecular weight of 187.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 131041497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).