1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea

C15H25F3N2O2 — CID 86792379

IUPAC1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)NC(C1CCCC1)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H25F3N2O2/c1-10(11-6-8-22-9-7-11)19-14(21)20-13(15(16,17)18)12-4-2-3-5-12/h10-13H,2-9H2,1H3,(H2,19,20,21)
InChIKeyIAHNDYFCEOUIDT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.22
Rot. Bonds4

About 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea

1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea (PubChem CID 86792379) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea
PubChem CID86792379
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea
SMILESCC(NC(=O)NC(C1CCCC1)C(F)(F)F)C1CCOCC1
InChIInChI=1S/C15H25F3N2O2/c1-10(11-6-8-22-9-7-11)19-14(21)20-13(15(16,17)18)12-4-2-3-5-12/h10-13H,2-9H2,1H3,(H2,19,20,21)
InChIKeyIAHNDYFCEOUIDT-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea (CID 86792379) is 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea is CC(NC(=O)NC(C1CCCC1)C(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea?
The InChIKey is IAHNDYFCEOUIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-10(11-6-8-22-9-7-11)19-14(21)20-13(15(16,17)18)12-4-2-3-5-12/h10-13H,2-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea?
1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 86792379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).