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

C9H15FN2O — CID 130667484

IUPAC1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CC=CCC1
InChIInChI=1S/C9H15FN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H2,11,12,13)
InChIKeyVUPLVUFYGLDICV-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.36
Rot. Bonds3

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

1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea (PubChem CID 130667484) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea
PubChem CID130667484
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea
SMILESO=C(NCCF)NC1CC=CCC1
InChIInChI=1S/C9H15FN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H2,11,12,13)
InChIKeyVUPLVUFYGLDICV-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.36
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

1-(2-Fluoro-ethyl)-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10316739
1-Isopropyl-3-((4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenyl)-urea
CID 10689907
3-Cyclohex-2-en-1-yl-1,1-dimethylurea
CID 15112130
1-Cyclohex-2-en-1-yl-3-(2-fluoroethyl)urea
CID 280779
1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea
CID 25052105
1-(2-Fluoroethyl)-3-(2-methylcyclohex-2-en-1-yl)urea
CID 25052108
1-(2-Ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea
CID 25052109
1-(2-Fluoroethyl)-3-(3-methylcyclohex-2-en-1-yl)urea
CID 25052110
1-(3-Ethylcyclohex-2-en-1-yl)-3-(2-fluoroethyl)urea
CID 25052111
1-Cyclopent-2-en-1-yl-3-(2-fluoroethyl)urea
CID 57884207
1-(3-Aminocyclohex-3-en-1-yl)-3-(3-fluorocyclohex-3-en-1-yl)urea
CID 68356122
1-(3-Aminocyclohex-3-en-1-yl)-3-(2,5-difluorocyclohex-3-en-1-yl)urea
CID 68356126

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea?
The IUPAC name of 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea (CID 130667484) is 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea is O=C(NCCF)NC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea?
The InChIKey is VUPLVUFYGLDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H2,11,12,13).
What are the key properties of 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea?
1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea has a molecular weight of 186.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-3-(2-fluoroethyl)urea is sourced from PubChem (CID 130667484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).