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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Related Compounds

(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
1-(2-fluoroethyl)-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)urea
CID 25051108
1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 131065223
1-(2-fluoroethyl)-3-(5-methoxy-2,3,3a,7a-tetrahydro-1H-inden-1-yl)urea
CID 89139729
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-(2-fluoroethyl)urea
CID 25052272
1-cyclopentyl-3-propylurea
CID 14343339
1-(2-fluoroethyl)-3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124541692
1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
CID 127864776
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide
CID 84586773
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718

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).