1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea

C10H19FN2O2 — CID 88976772

IUPAC1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea
SMILESCOC1CCCCC1NC(=O)NCCF
InChIInChI=1S/C10H19FN2O2/c1-15-9-5-3-2-4-8(9)13-10(14)12-7-6-11/h8-9H,2-7H2,1H3,(H2,12,13,14)
InChIKeyMRINHONWTQZIFT-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.21
Rot. Bonds4

About 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea

1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea (PubChem CID 88976772) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea
PubChem CID88976772
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea
SMILESCOC1CCCCC1NC(=O)NCCF
InChIInChI=1S/C10H19FN2O2/c1-15-9-5-3-2-4-8(9)13-10(14)12-7-6-11/h8-9H,2-7H2,1H3,(H2,12,13,14)
InChIKeyMRINHONWTQZIFT-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.21
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-(2-methoxycyclohexyl)urea?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea (CID 88976772) is 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea is COC1CCCCC1NC(=O)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea?
The InChIKey is MRINHONWTQZIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-15-9-5-3-2-4-8(9)13-10(14)12-7-6-11/h8-9H,2-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea?
1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea has a molecular weight of 218.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methoxycyclohexyl)urea is sourced from PubChem (CID 88976772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).