[2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid

C18H16F3NO3 — CID 68964641

IUPAC[2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C1Cc2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)13-8-4-7-12-10-15(25-16(12)13)14(22-17(23)24)9-11-5-2-1-3-6-11/h1-8,14-15,22H,9-10H2,(H,23,24)
InChIKeyRIYTUGOBKRGUOD-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.89
Rot. Bonds4

About [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid

[2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid (PubChem CID 68964641) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid
PubChem CID68964641
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name[2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid
SMILESO=C(O)NC(Cc1ccccc1)C1Cc2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C18H16F3NO3/c19-18(20,21)13-8-4-7-12-10-15(25-16(12)13)14(22-17(23)24)9-11-5-2-1-3-6-11/h1-8,14-15,22H,9-10H2,(H,23,24)
InChIKeyRIYTUGOBKRGUOD-UHFFFAOYSA-N
XLogP3.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid?
The IUPAC name of [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid (CID 68964641) is [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid?
The canonical SMILES for [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid is O=C(O)NC(Cc1ccccc1)C1Cc2cccc(C(F)(F)F)c2O1.
What is the InChIKey of [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid?
The InChIKey is RIYTUGOBKRGUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO3/c19-18(20,21)13-8-4-7-12-10-15(25-16(12)13)14(22-17(23)24)9-11-5-2-1-3-6-11/h1-8,14-15,22H,9-10H2,(H,23,24).
What are the key properties of [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid?
[2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid has a molecular weight of 351.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-1-[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]ethyl]carbamic acid is sourced from PubChem (CID 68964641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).