3-(2,5-difluorophenyl)-1,1-dimethylurea

C9H10F2N2O — CID 110459919

IUPAC3-(2,5-difluorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C9H10F2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyLVIMAFRFLSSDGN-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.06
Rot. Bonds1

About 3-(2,5-difluorophenyl)-1,1-dimethylurea

3-(2,5-difluorophenyl)-1,1-dimethylurea (PubChem CID 110459919) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1,1-dimethylurea
PubChem CID110459919
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name3-(2,5-difluorophenyl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C9H10F2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14)
InChIKeyLVIMAFRFLSSDGN-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 112684763
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(Z)-4-(2,5-difluoroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
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CID 8712228
3-(2,5-difluorophenyl)-1-(2-hydroxyethyl)-1-pentylurea
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3-(4-bromo-2-fluorophenyl)-1,1-dimethylurea
CID 110460006
1-(2,5-difluorophenyl)-3-prop-1-en-2-ylurea
CID 108910441
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
tert-butyl N-(2,5-difluorophenyl)carbamate
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1-(2,5-difluorophenyl)-3-methylthiourea
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1,1-dimethylurea?
The IUPAC name of 3-(2,5-difluorophenyl)-1,1-dimethylurea (CID 110459919) is 3-(2,5-difluorophenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(2,5-difluorophenyl)-1,1-dimethylurea is CN(C)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-1,1-dimethylurea?
The InChIKey is LVIMAFRFLSSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-13(2)9(14)12-8-5-6(10)3-4-7(8)11/h3-5H,1-2H3,(H,12,14).
What are the key properties of 3-(2,5-difluorophenyl)-1,1-dimethylurea?
3-(2,5-difluorophenyl)-1,1-dimethylurea has a molecular weight of 200.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1,1-dimethylurea is sourced from PubChem (CID 110459919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).