1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea

C11H19FN2O — CID 25052111

IUPAC1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea
SMILESCCC1=CC(NC(=O)NCCF)CCC1
InChIInChI=1S/C11H19FN2O/c1-2-9-4-3-5-10(8-9)14-11(15)13-7-6-12/h8,10H,2-7H2,1H3,(H2,13,14,15)
InChIKeyBUKSISPYPDMFMS-UHFFFAOYSA-N
MW214.28 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea

1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25052111) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25052111
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea
SMILESCCC1=CC(NC(=O)NCCF)CCC1
InChIInChI=1S/C11H19FN2O/c1-2-9-4-3-5-10(8-9)14-11(15)13-7-6-12/h8,10H,2-7H2,1H3,(H2,13,14,15)
InChIKeyBUKSISPYPDMFMS-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
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 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea (CID 25052111) is 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea is CCC1=CC(NC(=O)NCCF)CCC1.
What is the InChIKey of 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is BUKSISPYPDMFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-2-9-4-3-5-10(8-9)14-11(15)13-7-6-12/h8,10H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea?
1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 214.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25052111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).