1-methyl-5-(trifluoromethoxy)-2-benzofuran

C10H7F3O2 — CID 174850937

IUPAC1-methyl-5-(trifluoromethoxy)-2-benzofuran
SMILESCc1occ2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C10H7F3O2/c1-6-9-3-2-8(15-10(11,12)13)4-7(9)5-14-6/h2-5H,1H3
InChIKeyBFBHNMHDEUQSME-UHFFFAOYSA-N
MW216.16 g/mol
LogP3.64
Rot. Bonds1

About 1-methyl-5-(trifluoromethoxy)-2-benzofuran

1-methyl-5-(trifluoromethoxy)-2-benzofuran (PubChem CID 174850937) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethoxy)-2-benzofuran.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethoxy)-2-benzofuran
PubChem CID174850937
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name1-methyl-5-(trifluoromethoxy)-2-benzofuran
SMILESCc1occ2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C10H7F3O2/c1-6-9-3-2-8(15-10(11,12)13)4-7(9)5-14-6/h2-5H,1H3
InChIKeyBFBHNMHDEUQSME-UHFFFAOYSA-N
XLogP3.64
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-(trifluoromethoxy)triphenylene
CID 154001040
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethoxy)-2-benzofuran?
The IUPAC name of 1-methyl-5-(trifluoromethoxy)-2-benzofuran (CID 174850937) is 1-methyl-5-(trifluoromethoxy)-2-benzofuran.
What is the SMILES notation for 1-methyl-5-(trifluoromethoxy)-2-benzofuran?
The canonical SMILES for 1-methyl-5-(trifluoromethoxy)-2-benzofuran is Cc1occ2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 1-methyl-5-(trifluoromethoxy)-2-benzofuran?
The InChIKey is BFBHNMHDEUQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c1-6-9-3-2-8(15-10(11,12)13)4-7(9)5-14-6/h2-5H,1H3.
What are the key properties of 1-methyl-5-(trifluoromethoxy)-2-benzofuran?
1-methyl-5-(trifluoromethoxy)-2-benzofuran has a molecular weight of 216.16 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethoxy)-2-benzofuran is sourced from PubChem (CID 174850937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).