1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea

C13H22F2N2O — CID 67472892

IUPAC1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea
SMILESNC(=O)N(C1CCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H22F2N2O/c14-13(15)8-6-11(7-9-13)17(12(16)18)10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,16,18)
InChIKeyMRCOXNTUEADXOQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.28
Rot. Bonds2

About 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea

1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea (PubChem CID 67472892) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea
PubChem CID67472892
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea
SMILESNC(=O)N(C1CCCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H22F2N2O/c14-13(15)8-6-11(7-9-13)17(12(16)18)10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,16,18)
InChIKeyMRCOXNTUEADXOQ-UHFFFAOYSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea?
The IUPAC name of 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea (CID 67472892) is 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea?
The canonical SMILES for 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea is NC(=O)N(C1CCCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea?
The InChIKey is MRCOXNTUEADXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c14-13(15)8-6-11(7-9-13)17(12(16)18)10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,16,18).
What are the key properties of 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea?
1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea has a molecular weight of 260.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea is sourced from PubChem (CID 67472892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).