5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran

C10H9FO — CID 175717154

IUPAC5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran
SMILES[2H]c1cc2cc(C(C)F)oc2cc1[2H]
InChIInChI=1S/C10H9FO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3/i2D,3D
InChIKeyTWBNWHXMELJJOO-PBNXXWCMSA-N
MW166.19 g/mol
LogP3.46
Rot. Bonds1

About 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran

5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran (PubChem CID 175717154) has the molecular formula C10H9FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran.

Molecular Properties

Compound Name5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran
PubChem CID175717154
Molecular FormulaC10H9FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran
SMILES[2H]c1cc2cc(C(C)F)oc2cc1[2H]
InChIInChI=1S/C10H9FO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3/i2D,3D
InChIKeyTWBNWHXMELJJOO-PBNXXWCMSA-N
XLogP3.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,5,6-tetradeuterio-2-(1-fluoroethyl)-1-benzofuran
CID 175717219
1-(4,6-dideuterio-1-benzofuran-2-yl)ethanol
CID 175717148
2-(1-fluoroethyl)-1-benzofuran-4-amine
CID 84656832
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
2-butan-2-yl-1-benzofuran
CID 12065919
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
2,5-di(propan-2-yl)-1-benzofuran
CID 59835786
2-propan-2-yl-1-benzofuran-5-amine
CID 144729089
(1S)-2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 165455132
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215
2-(4-bromopentan-2-yl)-1-benzofuran
CID 114733955

Frequently Asked Questions

What is the IUPAC name of 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran?
The IUPAC name of 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran (CID 175717154) is 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran.
What is the SMILES notation for 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran?
The canonical SMILES for 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran is [2H]c1cc2cc(C(C)F)oc2cc1[2H].
What is the InChIKey of 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran?
The InChIKey is TWBNWHXMELJJOO-PBNXXWCMSA-N. The full InChI is InChI=1S/C10H9FO/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3/i2D,3D.
What are the key properties of 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran?
5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran has a molecular weight of 166.19 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dideuterio-2-(1-fluoroethyl)-1-benzofuran is sourced from PubChem (CID 175717154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).