1-ethyl-3-(4-fluorocyclohexyl)urea

C9H17FN2O — CID 130626295

IUPAC1-ethyl-3-(4-fluorocyclohexyl)urea
SMILESCCNC(=O)NC1CCC(F)CC1
InChIInChI=1S/C9H17FN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyFJXDNAJYZIDWBU-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.59
Rot. Bonds2

About 1-ethyl-3-(4-fluorocyclohexyl)urea

1-ethyl-3-(4-fluorocyclohexyl)urea (PubChem CID 130626295) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorocyclohexyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorocyclohexyl)urea
PubChem CID130626295
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-ethyl-3-(4-fluorocyclohexyl)urea
SMILESCCNC(=O)NC1CCC(F)CC1
InChIInChI=1S/C9H17FN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h7-8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyFJXDNAJYZIDWBU-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorocyclohexyl)urea?
The IUPAC name of 1-ethyl-3-(4-fluorocyclohexyl)urea (CID 130626295) is 1-ethyl-3-(4-fluorocyclohexyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-fluorocyclohexyl)urea?
The canonical SMILES for 1-ethyl-3-(4-fluorocyclohexyl)urea is CCNC(=O)NC1CCC(F)CC1.
What is the InChIKey of 1-ethyl-3-(4-fluorocyclohexyl)urea?
The InChIKey is FJXDNAJYZIDWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h7-8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(4-fluorocyclohexyl)urea?
1-ethyl-3-(4-fluorocyclohexyl)urea has a molecular weight of 188.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluorocyclohexyl)urea is sourced from PubChem (CID 130626295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).