2-(1-fluorocyclobutyl)ethylurea

C7H13FN2O — CID 130694117

IUPAC2-(1-fluorocyclobutyl)ethylurea
SMILESNC(=O)NCCC1(F)CCC1
InChIInChI=1S/C7H13FN2O/c8-7(2-1-3-7)4-5-10-6(9)11/h1-5H2,(H3,9,10,11)
InChIKeyOCUONFHCBSJURA-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.94
Rot. Bonds3

About 2-(1-fluorocyclobutyl)ethylurea

2-(1-fluorocyclobutyl)ethylurea (PubChem CID 130694117) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-(1-fluorocyclobutyl)ethylurea.

Molecular Properties

Compound Name2-(1-fluorocyclobutyl)ethylurea
PubChem CID130694117
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name2-(1-fluorocyclobutyl)ethylurea
SMILESNC(=O)NCCC1(F)CCC1
InChIInChI=1S/C7H13FN2O/c8-7(2-1-3-7)4-5-10-6(9)11/h1-5H2,(H3,9,10,11)
InChIKeyOCUONFHCBSJURA-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[2-(1-fluorocyclobutyl)ethyl]prop-2-ynamide
CID 130684230
3-[2-(1-fluorocyclobutyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122014323
2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666100
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
4-[[2-(1-fluorocyclobutyl)ethylamino]methyl]benzoic acid
CID 122034405
(3aS,6aR)-2-[2-(1-fluorocyclobutyl)ethylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122014320
ethane;2-hydroxyethylurea
CID 144763401
1,1-difluorocyclobutane;methylurea;hydrochloride
CID 175158753
2-(1-fluorocyclohexyl)-N-methylethanamine
CID 84731476
(1-aminocyclohexyl)methylurea
CID 61298669
2-hydroxyethylurea;iron
CID 174789558
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclobutyl)ethylurea?
The IUPAC name of 2-(1-fluorocyclobutyl)ethylurea (CID 130694117) is 2-(1-fluorocyclobutyl)ethylurea.
What is the SMILES notation for 2-(1-fluorocyclobutyl)ethylurea?
The canonical SMILES for 2-(1-fluorocyclobutyl)ethylurea is NC(=O)NCCC1(F)CCC1.
What is the InChIKey of 2-(1-fluorocyclobutyl)ethylurea?
The InChIKey is OCUONFHCBSJURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c8-7(2-1-3-7)4-5-10-6(9)11/h1-5H2,(H3,9,10,11).
What are the key properties of 2-(1-fluorocyclobutyl)ethylurea?
2-(1-fluorocyclobutyl)ethylurea has a molecular weight of 160.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutyl)ethylurea is sourced from PubChem (CID 130694117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).