1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea

C11H19F3N2O2 — CID 97086262

IUPAC1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
SMILESC[C@@H](NC(=O)NCCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(9-2-6-18-7-3-9)16-10(17)15-5-4-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)/t8-/m1/s1
InChIKeyZTGYPVJXXWDBHG-MRVPVSSYSA-N
MW268.28 g/mol
LogP2.05
Rot. Bonds4

About 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea

1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea (PubChem CID 97086262) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
PubChem CID97086262
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
SMILESC[C@@H](NC(=O)NCCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c1-8(9-2-6-18-7-3-9)16-10(17)15-5-4-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)/t8-/m1/s1
InChIKeyZTGYPVJXXWDBHG-MRVPVSSYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
CID 84593073
3-Cyclopentyl-1-[(oxan-4-yl)methyl]urea
CID 110749296
1-Methyl-3-(2-methylpropyl)-1-[(oxan-4-YL)methyl]urea
CID 91914980
N'-cyclopentyl-N-methyl-N-[(oxan-4-yl)methyl]urea
CID 110752124
1-Methyl-3-(3-methylbutyl)-1-[(oxan-4-YL)methyl]urea
CID 91914982
N'-isopropyl-N-methyl-N-tetrahydro-2H-pyran-4-ylmethylurea
CID 110752122
1-[1-(2-Methylpropoxy)propan-2-yl]-3-[1-(oxan-4-yl)ethyl]urea
CID 75381384
1-[1-(4,4-Difluorocyclohexyl)ethyl]-3-[(3-methyloxan-4-yl)methyl]urea
CID 132346771
1-(6-oxaspiro[2.5]octan-2-yl)-3-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]urea
CID 132362399
1-[1-(Oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 71917534
1-[1-(Oxan-4-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 71917552
3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 71967377

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea?
The IUPAC name of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea (CID 97086262) is 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea.
What is the SMILES notation for 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea?
The canonical SMILES for 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea is C[C@@H](NC(=O)NCCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea?
The InChIKey is ZTGYPVJXXWDBHG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(9-2-6-18-7-3-9)16-10(17)15-5-4-11(12,13)14/h8-9H,2-7H2,1H3,(H2,15,16,17)/t8-/m1/s1.
What are the key properties of 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea?
1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea has a molecular weight of 268.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea is sourced from PubChem (CID 97086262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).