1-tert-butyl-3-(3,4-difluorophenyl)urea

C11H14F2N2O — CID 78786872

IUPAC1-tert-butyl-3-(3,4-difluorophenyl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-11(2,3)15-10(16)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyYTGJTOBTAWCPSR-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.88
Rot. Bonds1

About 1-tert-butyl-3-(3,4-difluorophenyl)urea

1-tert-butyl-3-(3,4-difluorophenyl)urea (PubChem CID 78786872) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3,4-difluorophenyl)urea
PubChem CID78786872
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name1-tert-butyl-3-(3,4-difluorophenyl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c1-11(2,3)15-10(16)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyYTGJTOBTAWCPSR-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-difluorophenyl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791504
1-(3,4-difluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
CID 71672999
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
3-[4-(tert-butylcarbamoylamino)-2-fluorophenyl]prop-2-enoic acid
CID 77069562
1-(3,4-difluorophenyl)-3-(3,3-dimethylbutan-2-yl)urea
CID 3763326
1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139691
1-(3,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216738
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,4-difluorophenyl)urea?
The IUPAC name of 1-tert-butyl-3-(3,4-difluorophenyl)urea (CID 78786872) is 1-tert-butyl-3-(3,4-difluorophenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3,4-difluorophenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(3,4-difluorophenyl)urea is CC(C)(C)NC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-tert-butyl-3-(3,4-difluorophenyl)urea?
The InChIKey is YTGJTOBTAWCPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-11(2,3)15-10(16)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 1-tert-butyl-3-(3,4-difluorophenyl)urea?
1-tert-butyl-3-(3,4-difluorophenyl)urea has a molecular weight of 228.24 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,4-difluorophenyl)urea is sourced from PubChem (CID 78786872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).