[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid

C11H10F3NO3 — CID 69108153

IUPAC[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1Cc2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)8-3-1-2-6-4-7(18-9(6)8)5-15-10(16)17/h1-3,7,15H,4-5H2,(H,16,17)
InChIKeyQTFQBECVKJXOGN-UHFFFAOYSA-N
MW261.20 g/mol
LogP2.28
Rot. Bonds2

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

[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid (PubChem CID 69108153) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
PubChem CID69108153
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Name[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
SMILESO=C(O)NCC1Cc2cccc(C(F)(F)F)c2O1
InChIInChI=1S/C11H10F3NO3/c12-11(13,14)8-3-1-2-6-4-7(18-9(6)8)5-15-10(16)17/h1-3,7,15H,4-5H2,(H,16,17)
InChIKeyQTFQBECVKJXOGN-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic 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 [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
The IUPAC name of [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid (CID 69108153) is [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid.
What is the SMILES notation for [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
The canonical SMILES for [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid is O=C(O)NCC1Cc2cccc(C(F)(F)F)c2O1.
What is the InChIKey of [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
The InChIKey is QTFQBECVKJXOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-11(13,14)8-3-1-2-6-4-7(18-9(6)8)5-15-10(16)17/h1-3,7,15H,4-5H2,(H,16,17).
What are the key properties of [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
[7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid has a molecular weight of 261.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(trifluoromethyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid is sourced from PubChem (CID 69108153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).