1-(2,2-difluoroethyl)-3-ethylurea

C5H10F2N2O — CID 54143786

IUPAC1-(2,2-difluoroethyl)-3-ethylurea
SMILESCCNC(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O/c1-2-8-5(10)9-3-4(6)7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyOFQLMXLIIXMOHW-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.57
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-ethylurea

1-(2,2-difluoroethyl)-3-ethylurea (PubChem CID 54143786) has the molecular formula C5H10F2N2O and a molecular weight of 152.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethylurea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethylurea
PubChem CID54143786
Molecular FormulaC5H10F2N2O
Molecular Weight152.14 g/mol
Exact Mass152.08
IUPAC Name1-(2,2-difluoroethyl)-3-ethylurea
SMILESCCNC(=O)NCC(F)F
InChIInChI=1S/C5H10F2N2O/c1-2-8-5(10)9-3-4(6)7/h4H,2-3H2,1H3,(H2,8,9,10)
InChIKeyOFQLMXLIIXMOHW-UHFFFAOYSA-N
XLogP0.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

sym-Diethylurea
CID 12194
N-Ethyl-N'-methylurea
CID 206567
Urea, 1,1-dimethyl-3-ethyl-
CID 210410
(2,2,2-Trifluoroethyl)urea
CID 251521
1-[(2S)-butan-2-yl]-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 2276889
1,3-Bis(2,2,2-trifluoroethyl)urea
CID 251729
Methyldiethylurea
CID 22263783
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,1-dimethylurea
CID 13789390
1-(2-Methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115575963
1-Methyl-3-(2,2,2-trifluoroethyl)urea
CID 251518
1-(2-Fluoroethyl)-3-methylurea
CID 258704
2,2,2-trifluoro-N-[1-(methylamino)ethyl]acetamide
CID 18187974

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethylurea?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethylurea (CID 54143786) is 1-(2,2-difluoroethyl)-3-ethylurea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethylurea?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethylurea is CCNC(=O)NCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethylurea?
The InChIKey is OFQLMXLIIXMOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O/c1-2-8-5(10)9-3-4(6)7/h4H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 1-(2,2-difluoroethyl)-3-ethylurea?
1-(2,2-difluoroethyl)-3-ethylurea has a molecular weight of 152.14 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-ethylurea is sourced from PubChem (CID 54143786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).