1-(2-fluoroethyl)-3-(thiolan-3-yl)urea

C7H13FN2OS — CID 130775782

IUPAC1-(2-fluoroethyl)-3-(thiolan-3-yl)urea
SMILESO=C(NCCF)NC1CCSC1
InChIInChI=1S/C7H13FN2OS/c8-2-3-9-7(11)10-6-1-4-12-5-6/h6H,1-5H2,(H2,9,10,11)
InChIKeyGGDZFCLCGNIUPZ-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.76
Rot. Bonds3

About 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea

1-(2-fluoroethyl)-3-(thiolan-3-yl)urea (PubChem CID 130775782) has the molecular formula C7H13FN2OS and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(thiolan-3-yl)urea
PubChem CID130775782
Molecular FormulaC7H13FN2OS
Molecular Weight192.26 g/mol
Exact Mass192.07
IUPAC Name1-(2-fluoroethyl)-3-(thiolan-3-yl)urea
SMILESO=C(NCCF)NC1CCSC1
InChIInChI=1S/C7H13FN2OS/c8-2-3-9-7(11)10-6-1-4-12-5-6/h6H,1-5H2,(H2,9,10,11)
InChIKeyGGDZFCLCGNIUPZ-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea (CID 130775782) is 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea is O=C(NCCF)NC1CCSC1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea?
The InChIKey is GGDZFCLCGNIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2OS/c8-2-3-9-7(11)10-6-1-4-12-5-6/h6H,1-5H2,(H2,9,10,11).
What are the key properties of 1-(2-fluoroethyl)-3-(thiolan-3-yl)urea?
1-(2-fluoroethyl)-3-(thiolan-3-yl)urea has a molecular weight of 192.26 g/mol, XLogP of 0.76, 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-(thiolan-3-yl)urea is sourced from PubChem (CID 130775782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).