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

C13H22F2N2O2 — CID 167796778

IUPAC1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCC(F)(F)C1)N(CCO)C1CCC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)6-2-3-10(9-13)16-12(19)17(7-8-18)11-4-1-5-11/h10-11,18H,1-9H2,(H,16,19)
InChIKeyOJTZMJNXODHGLD-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.12
Rot. Bonds4

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

1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea (PubChem CID 167796778) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea
PubChem CID167796778
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC1CCCC(F)(F)C1)N(CCO)C1CCC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)6-2-3-10(9-13)16-12(19)17(7-8-18)11-4-1-5-11/h10-11,18H,1-9H2,(H,16,19)
InChIKeyOJTZMJNXODHGLD-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea (CID 167796778) is 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea is O=C(NC1CCCC(F)(F)C1)N(CCO)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea?
The InChIKey is OJTZMJNXODHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)6-2-3-10(9-13)16-12(19)17(7-8-18)11-4-1-5-11/h10-11,18H,1-9H2,(H,16,19).
What are the key properties of 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea?
1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea has a molecular weight of 276.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3,3-difluorocyclohexyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 167796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).