N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide

C9H14FNO — CID 130701915

IUPACN-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCF)C1CC=CCC1
InChIInChI=1S/C9H14FNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,12)
InChIKeyJYURZBQWBPIXHO-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.43
Rot. Bonds3

About N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide

N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 130701915) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
PubChem CID130701915
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC NameN-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCF)C1CC=CCC1
InChIInChI=1S/C9H14FNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,12)
InChIKeyJYURZBQWBPIXHO-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methylarachidonoyl-(2'-fluoroethyl)amide
CID 5283437
N-(3-methyl-butyl)arachidonoylamide
CID 5283399
N-propyl alpha-methyl arachidonoyl amine
CID 5283416
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)N-(2-fluro-ethyl)-2,17,17-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283441
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442
(+/-)N-(2-fluro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
CID 5283443
2-fluoro-N-(2-methylicosa-5,8,11,14-tetraenyl)acetamide
CID 53829339
3-(But-3-en-1-yl)piperidin-2-one
CID 10103349
N-methylcyclohex-3-ene-1-carboxamide
CID 2780388
Propenylcaprolactam
CID 129788440
N-{2-[(3-cyclohexen-1-ylcarbonyl)amino]ethyl}-3-cyclohexene-1-carboxamide
CID 4049315

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide (CID 130701915) is N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide is O=C(NCCF)C1CC=CCC1.
What is the InChIKey of N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JYURZBQWBPIXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,12).
What are the key properties of N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide?
N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 130701915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).