3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea

C11H19F3N2O2 — CID 110903664

IUPAC3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
SMILESCN(CCC(F)(F)F)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H19F3N2O2/c1-16(7-6-11(12,13)14)10(18)15-8-2-4-9(17)5-3-8/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyBZDKWBYIYYRAGI-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.88
Rot. Bonds3

About 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea

3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea (PubChem CID 110903664) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
PubChem CID110903664
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
SMILESCN(CCC(F)(F)F)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H19F3N2O2/c1-16(7-6-11(12,13)14)10(18)15-8-2-4-9(17)5-3-8/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyBZDKWBYIYYRAGI-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea (CID 110903664) is 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea is CN(CCC(F)(F)F)C(=O)NC1CCC(O)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
The InChIKey is BZDKWBYIYYRAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-16(7-6-11(12,13)14)10(18)15-8-2-4-9(17)5-3-8/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea?
3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea has a molecular weight of 268.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-1-methyl-1-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 110903664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).