1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea

C9H15FN2O — CID 25052105

IUPAC1-(2-fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea
SMILESCC1=CC(CC1)NC(=O)NCCF
InChIInChI=1S/C9H15FN2O/c1-7-2-3-8(6-7)12-9(13)11-5-4-10/h6,8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyHVHHGDZHFYVTER-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.70
Rot. Bonds3

About 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea

1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea (PubChem CID 25052105) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea.

Molecular Properties

Compound Name1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea
PubChem CID25052105
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name1-(2-fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea
SMILESCC1=CC(CC1)NC(=O)NCCF
InChIInChI=1S/C9H15FN2O/c1-7-2-3-8(6-7)12-9(13)11-5-4-10/h6,8H,2-5H2,1H3,(H2,11,12,13)
InChIKeyHVHHGDZHFYVTER-UHFFFAOYSA-N
XLogP0.70
TPSA41.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity216

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[(2E)-2-(2-methylpropylidene)cyclohexyl]-3-propan-2-ylurea
CID 5310788
1-Cyclohexyl-3-(6-methylhept-5-en-2-yl)urea
CID 2871893
1-cyclohexyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]urea
CID 44755933
1-cyclohexyl-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]urea
CID 118720728
3-Cyclohex-2-en-1-yl-1,1-dimethylurea
CID 15112130
1-Cyclohex-2-en-1-yl-3-(2-fluoroethyl)urea
CID 280779
1-(2,3-Dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea
CID 25052106
1-(3-Ethyl-2-methylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea
CID 25052107
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea?
The IUPAC name of 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea (CID 25052105) is 1-(2-fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea.
What is the SMILES notation for 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea?
The canonical SMILES for 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea is CC1=CC(CC1)NC(=O)NCCF.
What is the InChIKey of 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea?
The InChIKey is HVHHGDZHFYVTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7-2-3-8(6-7)12-9(13)11-5-4-10/h6,8H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea?
1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea has a molecular weight of 186.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea is sourced from PubChem (CID 25052105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).