1-(3,3-difluorocyclohexyl)-3-methylurea

C8H14F2N2O — CID 130645674

IUPAC1-(3,3-difluorocyclohexyl)-3-methylurea
SMILESCNC(=O)NC1CCCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-11-7(13)12-6-3-2-4-8(9,10)5-6/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyXXZUPDJPMWHMNO-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.49
Rot. Bonds1

About 1-(3,3-difluorocyclohexyl)-3-methylurea

1-(3,3-difluorocyclohexyl)-3-methylurea (PubChem CID 130645674) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-methylurea.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-methylurea
PubChem CID130645674
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-(3,3-difluorocyclohexyl)-3-methylurea
SMILESCNC(=O)NC1CCCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-11-7(13)12-6-3-2-4-8(9,10)5-6/h6H,2-5H2,1H3,(H2,11,12,13)
InChIKeyXXZUPDJPMWHMNO-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methylurea?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-methylurea (CID 130645674) is 1-(3,3-difluorocyclohexyl)-3-methylurea.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-methylurea?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-methylurea is CNC(=O)NC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-methylurea?
The InChIKey is XXZUPDJPMWHMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-11-7(13)12-6-3-2-4-8(9,10)5-6/h6H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-methylurea?
1-(3,3-difluorocyclohexyl)-3-methylurea has a molecular weight of 192.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-methylurea is sourced from PubChem (CID 130645674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).