(2,3-difluoro-1-benzothiophen-6-yl)methanol

C9H6F2OS — CID 130788092

IUPAC(2,3-difluoro-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2c(F)c(F)sc2c1
InChIInChI=1S/C9H6F2OS/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-3,12H,4H2
InChIKeyDJEAJDSCCNOUMH-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.67
Rot. Bonds1

About (2,3-difluoro-1-benzothiophen-6-yl)methanol

(2,3-difluoro-1-benzothiophen-6-yl)methanol (PubChem CID 130788092) has the molecular formula C9H6F2OS and a molecular weight of 200.21 g/mol. Its IUPAC name is (2,3-difluoro-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-1-benzothiophen-6-yl)methanol
PubChem CID130788092
Molecular FormulaC9H6F2OS
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name(2,3-difluoro-1-benzothiophen-6-yl)methanol
SMILESOCc1ccc2c(F)c(F)sc2c1
InChIInChI=1S/C9H6F2OS/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-3,12H,4H2
InChIKeyDJEAJDSCCNOUMH-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-1-benzothiophen-6-yl)methanol?
The IUPAC name of (2,3-difluoro-1-benzothiophen-6-yl)methanol (CID 130788092) is (2,3-difluoro-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (2,3-difluoro-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (2,3-difluoro-1-benzothiophen-6-yl)methanol is OCc1ccc2c(F)c(F)sc2c1.
What is the InChIKey of (2,3-difluoro-1-benzothiophen-6-yl)methanol?
The InChIKey is DJEAJDSCCNOUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2OS/c10-8-6-2-1-5(4-12)3-7(6)13-9(8)11/h1-3,12H,4H2.
What are the key properties of (2,3-difluoro-1-benzothiophen-6-yl)methanol?
(2,3-difluoro-1-benzothiophen-6-yl)methanol has a molecular weight of 200.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130788092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).