1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea

C10H19F3N2O — CID 164555572

IUPAC1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
SMILESCC(C)[C@@H](C)NC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-6(2)7(3)14-8(16)15-9(4,5)10(11,12)13/h6-7H,1-5H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyBSBUHCGDGTVBCP-SSDOTTSWSA-N
MW240.27 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea

1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea (PubChem CID 164555572) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
PubChem CID164555572
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
SMILESCC(C)[C@@H](C)NC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-6(2)7(3)14-8(16)15-9(4,5)10(11,12)13/h6-7H,1-5H3,(H2,14,15,16)/t7-/m1/s1
InChIKeyBSBUHCGDGTVBCP-SSDOTTSWSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butan-2-yl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 2836461
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
3-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-1,1-bis(2-methylpropyl)urea
CID 3433139
1,1-Bis(2-methylpropyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 3812760
1-(2-Methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115575963
1-(1-Fluoro-2-methylpropan-2-yl)-3-propan-2-ylurea
CID 57846647
1-Propan-2-yl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 57846657
1-Tert-butyl-3-(2,2-difluoropropyl)urea
CID 87527292
1-Tert-butyl-3-(2,2,2-trifluoroethyl)urea
CID 88198064
1-Tert-butyl-3-(2,2-difluorobutyl)urea
CID 88582203
1-Pentan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90348956
1-Propan-2-yl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
CID 130894538

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea (CID 164555572) is 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea is CC(C)[C@@H](C)NC(=O)NC(C)(C)C(F)(F)F.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
The InChIKey is BSBUHCGDGTVBCP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-6(2)7(3)14-8(16)15-9(4,5)10(11,12)13/h6-7H,1-5H3,(H2,14,15,16)/t7-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea?
1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea has a molecular weight of 240.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea is sourced from PubChem (CID 164555572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).