1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea

C9H15F3N2O2 — CID 47217842

IUPAC1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-8(16)14-6-1-3-7(15)4-2-6/h6-7,15H,1-5H2,(H2,13,14,16)
InChIKeyGWNPZWDXGLPIML-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.15
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea

1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47217842) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID47217842
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)NC1CCC(O)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-8(16)14-6-1-3-7(15)4-2-6/h6-7,15H,1-5H2,(H2,13,14,16)
InChIKeyGWNPZWDXGLPIML-UHFFFAOYSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea (CID 47217842) is 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)NC1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is GWNPZWDXGLPIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-13-8(16)14-6-1-3-7(15)4-2-6/h6-7,15H,1-5H2,(H2,13,14,16).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea?
1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 240.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47217842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).