1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea

C13H11F3N2O3 — CID 2810995

IUPAC1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccco1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)21-10-5-3-9(4-6-10)18-12(19)17-8-11-2-1-7-20-11/h1-7H,8H2,(H2,17,18,19)
InChIKeyXUAFMVPGMGVKQL-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.50
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2810995) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2810995
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESO=C(NCc1ccco1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)21-10-5-3-9(4-6-10)18-12(19)17-8-11-2-1-7-20-11/h1-7H,8H2,(H2,17,18,19)
InChIKeyXUAFMVPGMGVKQL-UHFFFAOYSA-N
XLogP3.50
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 2810995) is 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea is O=C(NCc1ccco1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is XUAFMVPGMGVKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)21-10-5-3-9(4-6-10)18-12(19)17-8-11-2-1-7-20-11/h1-7H,8H2,(H2,17,18,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 300.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2810995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).