1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea

C8H16F2N2O2 — CID 107479087

IUPAC1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
SMILESCCN(C)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-3-11(2)8(14)12(4-5-13)6-7(9)10/h7,13H,3-6H2,1-2H3
InChIKeyMDQYJFZWKAWEPL-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.62
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea

1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea (PubChem CID 107479087) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
PubChem CID107479087
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea
SMILESCCN(C)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-3-11(2)8(14)12(4-5-13)6-7(9)10/h7,13H,3-6H2,1-2H3
InChIKeyMDQYJFZWKAWEPL-UHFFFAOYSA-N
XLogP0.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea (CID 107479087) is 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea is CCN(C)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea?
The InChIKey is MDQYJFZWKAWEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-3-11(2)8(14)12(4-5-13)6-7(9)10/h7,13H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea?
1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea has a molecular weight of 210.22 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-ethyl-1-(2-hydroxyethyl)-3-methylurea is sourced from PubChem (CID 107479087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).