1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea

C11H19F3N2O2 — CID 90554858

IUPAC1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCC(C)NC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)15-10(17)16(7-11(12,13)14)9-3-5-18-6-4-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyIKWHLTXKPQVING-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.15
Rot. Bonds3

About 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea

1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 90554858) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
PubChem CID90554858
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
SMILESCC(C)NC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2)15-10(17)16(7-11(12,13)14)9-3-5-18-6-4-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeyIKWHLTXKPQVING-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Azetidin-3-YL)-1-(oxan-4-YL)-3-(propan-2-YL)urea
CID 86820504
N-ethyl-3-[ethyl(oxan-4-yl)amino]azetidine-1-carboxamide
CID 110197187
1,1-Bis(2,2-dimethylpropyl)-3-(oxan-4-yl)urea
CID 75443022
4,4-difluoro-N-(tetrahydro-2H-pyran-4-yl)piperidine-1-carboxamide
CID 121184665
N-[1-fluoroethyl(oxan-4-yl)carbamoyl]acetamide
CID 149319618
1-Ethyl-3-[3,3,3-trifluoro-2-[3-methoxypropyl(methyl)amino]propyl]urea
CID 167047183
1-Methyl-3-(oxan-4-yl)urea
CID 271800
1-[1-(Oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 71917534
N-(4-methoxybutan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71977283
2-[oxan-4-yl(propan-2-yl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 72040728
3-methyl-N-(5,5,5-trifluoropentyl)morpholine-4-carboxamide
CID 75387634
3-Tert-butyl-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554830

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea (CID 90554858) is 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea is CC(C)NC(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is IKWHLTXKPQVING-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2)15-10(17)16(7-11(12,13)14)9-3-5-18-6-4-9/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea?
1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 268.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-propan-2-yl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 90554858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).