1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea

C11H20F2N2O — CID 88913096

IUPAC1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)N(C)CC(F)F)CC1
InChIInChI=1S/C11H20F2N2O/c1-8-3-5-9(6-4-8)14-11(16)15(2)7-10(12)13/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyBSEDFXYRMXPXNU-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea

1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea (PubChem CID 88913096) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea
PubChem CID88913096
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)N(C)CC(F)F)CC1
InChIInChI=1S/C11H20F2N2O/c1-8-3-5-9(6-4-8)14-11(16)15(2)7-10(12)13/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyBSEDFXYRMXPXNU-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea (CID 88913096) is 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)N(C)CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea?
The InChIKey is BSEDFXYRMXPXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-8-3-5-9(6-4-8)14-11(16)15(2)7-10(12)13/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea?
1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea has a molecular weight of 234.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-methyl-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 88913096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).