1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea

C9H16F2N2O2 — CID 132970432

IUPAC1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11)3-1-7(2-4-9)13-8(15)12-5-6-14/h7,14H,1-6H2,(H2,12,13,15)
InChIKeyOLISEMZLMOLQFB-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.86
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea

1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea (PubChem CID 132970432) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea
PubChem CID132970432
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11)3-1-7(2-4-9)13-8(15)12-5-6-14/h7,14H,1-6H2,(H2,12,13,15)
InChIKeyOLISEMZLMOLQFB-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea (CID 132970432) is 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea is O=C(NCCO)NC1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea?
The InChIKey is OLISEMZLMOLQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11)3-1-7(2-4-9)13-8(15)12-5-6-14/h7,14H,1-6H2,(H2,12,13,15).
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea?
1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea has a molecular weight of 222.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 132970432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).