3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea

C10H18F2N2O — CID 126794515

IUPAC3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCC(C(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c1-14(2)10(15)13-8-5-3-7(4-6-8)9(11)12/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyIRFFBTKSIUREKT-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.08
Rot. Bonds2

About 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea

3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea (PubChem CID 126794515) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea
PubChem CID126794515
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCC(C(F)F)CC1
InChIInChI=1S/C10H18F2N2O/c1-14(2)10(15)13-8-5-3-7(4-6-8)9(11)12/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyIRFFBTKSIUREKT-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-3-(4-methylcyclohexyl)urea
CID 11806711
N-Cyclohexyl-N'-(3-propylhexan-2-yl)carbamimidic acid
CID 3040316
Ethylhexyl cyclohexyl urea
CID 4657034
(2-Methylcyclohexyl)urea
CID 3345444
N-[1,1-bis(trifluoromethyl)propyl]-N'-cyclohexylurea
CID 832105
1-(2-Fluoroethyl)-3-(4-methylcyclohexyl)urea
CID 276745
US20240262804, Example 14
CID 172430221
US20240262804, Example 15
CID 172430222
US20240262804, Example 16
CID 172430223
US20240262804, Example 52
CID 172430242
US20240262804, Example 66
CID 172430250
N-Cyclohexyl-N'-(1,3-dimethylbutyl)urea
CID 4123670

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea (CID 126794515) is 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea is CN(C)C(=O)NC1CCC(C(F)F)CC1.
What is the InChIKey of 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea?
The InChIKey is IRFFBTKSIUREKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-14(2)10(15)13-8-5-3-7(4-6-8)9(11)12/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea?
3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea has a molecular weight of 220.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)cyclohexyl]-1,1-dimethylurea is sourced from PubChem (CID 126794515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).