1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea

C10H19F3N2O — CID 102610396

IUPAC1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea
SMILESCC(C)C(C)(C)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)9(3,4)5-14-8(16)15-6-10(11,12)13/h7H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeySUTKEVFFAHHGQX-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.53
Rot. Bonds4

About 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea

1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea (PubChem CID 102610396) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea
PubChem CID102610396
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea
SMILESCC(C)C(C)(C)CNC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)9(3,4)5-14-8(16)15-6-10(11,12)13/h7H,5-6H2,1-4H3,(H2,14,15,16)
InChIKeySUTKEVFFAHHGQX-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4,4-Trifluoro-3,3-dimethylbutyl)urea
CID 89813919
1-[(2,2-Difluoro-1-methylcyclopropyl)methyl]-1,3-dimethylurea
CID 123338551
1-[(2R)-2-methylbutyl]-3-(2,2,2-trifluoroethyl)urea
CID 137434256
1-(3,3-Dimethylbutan-2-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea;ethane
CID 177964886
1-(1,1,1-Trifluoro-3,3-dimethylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 72113769
1-(4-Methylpentyl)-3-(2,2,2-trifluoroethyl)urea
CID 78854088
1,1-Bis(3-methylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 78891554
1-(2,2-Dimethylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 103461038
1-[(1-Methylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 103721919
1-[(1-Ethylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 103736185
1-[(1-Propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 103742699
1-(4-Amino-2,2-dimethylbutyl)-3-(2,2,2-trifluoroethyl)urea
CID 106141202

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea (CID 102610396) is 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea is CC(C)C(C)(C)CNC(=O)NCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea?
The InChIKey is SUTKEVFFAHHGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)9(3,4)5-14-8(16)15-6-10(11,12)13/h7H,5-6H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea?
1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea has a molecular weight of 240.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-3-(2,2,3-trimethylbutyl)urea is sourced from PubChem (CID 102610396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).