2-methyl-4-(trifluoromethyl)-1-benzofuran

C10H7F3O — CID 175846735

IUPAC2-methyl-4-(trifluoromethyl)-1-benzofuran
SMILESCc1cc2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C10H7F3O/c1-6-5-7-8(10(11,12)13)3-2-4-9(7)14-6/h2-5H,1H3
InChIKeyPXCAZBMWAGEJAE-UHFFFAOYSA-N
MW200.16 g/mol
LogP3.76
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1-benzofuran

2-methyl-4-(trifluoromethyl)-1-benzofuran (PubChem CID 175846735) has the molecular formula C10H7F3O and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1-benzofuran
PubChem CID175846735
Molecular FormulaC10H7F3O
Molecular Weight200.16 g/mol
Exact Mass200.04
IUPAC Name2-methyl-4-(trifluoromethyl)-1-benzofuran
SMILESCc1cc2c(C(F)(F)F)cccc2o1
InChIInChI=1S/C10H7F3O/c1-6-5-7-8(10(11,12)13)3-2-4-9(7)14-6/h2-5H,1H3
InChIKeyPXCAZBMWAGEJAE-UHFFFAOYSA-N
XLogP3.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1-benzofuran (CID 175846735) is 2-methyl-4-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1-benzofuran is Cc1cc2c(C(F)(F)F)cccc2o1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1-benzofuran?
The InChIKey is PXCAZBMWAGEJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O/c1-6-5-7-8(10(11,12)13)3-2-4-9(7)14-6/h2-5H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1-benzofuran?
2-methyl-4-(trifluoromethyl)-1-benzofuran has a molecular weight of 200.16 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 175846735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).