7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran

C11H8F6O — CID 59366518

IUPAC7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran
SMILESCc1cccc2c1OC(C(F)(F)F)(C(F)(F)F)C2
InChIInChI=1S/C11H8F6O/c1-6-3-2-4-7-5-9(10(12,13)14,11(15,16)17)18-8(6)7/h2-4H,5H2,1H3
InChIKeyKRYKSRDKEYLPSZ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.79
Rot. Bonds

About 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran

7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran (PubChem CID 59366518) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran.

Molecular Properties

Compound Name7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran
PubChem CID59366518
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran
SMILESCc1cccc2c1OC(C(F)(F)F)(C(F)(F)F)C2
InChIInChI=1S/C11H8F6O/c1-6-3-2-4-7-5-9(10(12,13)14,11(15,16)17)18-8(6)7/h2-4H,5H2,1H3
InChIKeyKRYKSRDKEYLPSZ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran?
The IUPAC name of 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran (CID 59366518) is 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran.
What is the SMILES notation for 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran?
The canonical SMILES for 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran is Cc1cccc2c1OC(C(F)(F)F)(C(F)(F)F)C2.
What is the InChIKey of 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran?
The InChIKey is KRYKSRDKEYLPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c1-6-3-2-4-7-5-9(10(12,13)14,11(15,16)17)18-8(6)7/h2-4H,5H2,1H3.
What are the key properties of 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran?
7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran has a molecular weight of 270.17 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,2-bis(trifluoromethyl)-3H-1-benzofuran is sourced from PubChem (CID 59366518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).