N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide

C10H16FNO — CID 131155157

IUPACN-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide
SMILESCC1CC=CCC1C(=O)NCCF
InChIInChI=1S/C10H16FNO/c1-8-4-2-3-5-9(8)10(13)12-7-6-11/h2-3,8-9H,4-7H2,1H3,(H,12,13)
InChIKeyFRSXAYLNGWSELA-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.67
Rot. Bonds3

About N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide

N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide (PubChem CID 131155157) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide
PubChem CID131155157
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide
SMILESCC1CC=CCC1C(=O)NCCF
InChIInChI=1S/C10H16FNO/c1-8-4-2-3-5-9(8)10(13)12-7-6-11/h2-3,8-9H,4-7H2,1H3,(H,12,13)
InChIKeyFRSXAYLNGWSELA-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide (CID 131155157) is N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide is CC1CC=CCC1C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is FRSXAYLNGWSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8-4-2-3-5-9(8)10(13)12-7-6-11/h2-3,8-9H,4-7H2,1H3,(H,12,13).
What are the key properties of N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide?
N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 131155157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).