[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol

C12H11FOS — CID 23130490

IUPAC[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1ccc(Cc2ccccc2F)s1
InChIInChI=1S/C12H11FOS/c13-12-4-2-1-3-9(12)7-10-5-6-11(8-14)15-10/h1-6,14H,7-8H2
InChIKeySHNAWZOKBUPIPX-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.97
Rot. Bonds3

About [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol

[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol (PubChem CID 23130490) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol
PubChem CID23130490
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1ccc(Cc2ccccc2F)s1
InChIInChI=1S/C12H11FOS/c13-12-4-2-1-3-9(12)7-10-5-6-11(8-14)15-10/h1-6,14H,7-8H2
InChIKeySHNAWZOKBUPIPX-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol (CID 23130490) is [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol is OCc1ccc(Cc2ccccc2F)s1.
What is the InChIKey of [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol?
The InChIKey is SHNAWZOKBUPIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c13-12-4-2-1-3-9(12)7-10-5-6-11(8-14)15-10/h1-6,14H,7-8H2.
What are the key properties of [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol?
[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 23130490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).