trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide

C9H9BF3O- — CID 63677632

IUPACtrifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
SMILESCC1Cc2cc([B-](F)(F)F)ccc2O1
InChIInChI=1S/C9H9BF3O/c1-6-4-7-5-8(10(11,12)13)2-3-9(7)14-6/h2-3,5-6H,4H2,1H3/q-1
InChIKeyLBYMQVMWXFWBHP-UHFFFAOYSA-N
MW200.98 g/mol
LogP2.06
Rot. Bonds1

About trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide

trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide (PubChem CID 63677632) has the molecular formula C9H9BF3O- and a molecular weight of 200.98 g/mol. Its IUPAC name is trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
PubChem CID63677632
Molecular FormulaC9H9BF3O-
Molecular Weight200.98 g/mol
Exact Mass201.07
IUPAC Nametrifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide
SMILESCC1Cc2cc([B-](F)(F)F)ccc2O1
InChIInChI=1S/C9H9BF3O/c1-6-4-7-5-8(10(11,12)13)2-3-9(7)14-6/h2-3,5-6H,4H2,1H3/q-1
InChIKeyLBYMQVMWXFWBHP-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.98
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
5-isocyano-2-methyl-2,3-dihydro-1-benzofuran
CID 83480135
2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl fluoride
CID 165460112
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane;propane
CID 145338242
6-methyl-2-propan-2-yl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran
CID 70811025
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 82404450
6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)bicyclo[3.1.0]hexan-6-ol
CID 79332091

Frequently Asked Questions

What is the IUPAC name of trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide?
The IUPAC name of trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide (CID 63677632) is trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide.
What is the SMILES notation for trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide?
The canonical SMILES for trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide is CC1Cc2cc([B-](F)(F)F)ccc2O1.
What is the InChIKey of trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide?
The InChIKey is LBYMQVMWXFWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF3O/c1-6-4-7-5-8(10(11,12)13)2-3-9(7)14-6/h2-3,5-6H,4H2,1H3/q-1.
What are the key properties of trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide?
trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide has a molecular weight of 200.98 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)boranuide is sourced from PubChem (CID 63677632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).