[3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol

C12H10F2OS — CID 167993728

IUPAC[3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1sccc1Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2OS/c13-10-2-1-8(6-11(10)14)5-9-3-4-16-12(9)7-15/h1-4,6,15H,5,7H2
InChIKeyXDLLRVRSDWUVDX-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.11
Rot. Bonds3

About [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol

[3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol (PubChem CID 167993728) has the molecular formula C12H10F2OS and a molecular weight of 240.27 g/mol. Its IUPAC name is [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol
PubChem CID167993728
Molecular FormulaC12H10F2OS
Molecular Weight240.27 g/mol
Exact Mass240.04
IUPAC Name[3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol
SMILESOCc1sccc1Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2OS/c13-10-2-1-8(6-11(10)14)5-9-3-4-16-12(9)7-15/h1-4,6,15H,5,7H2
InChIKeyXDLLRVRSDWUVDX-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol (CID 167993728) is [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol is OCc1sccc1Cc1ccc(F)c(F)c1.
What is the InChIKey of [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol?
The InChIKey is XDLLRVRSDWUVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OS/c13-10-2-1-8(6-11(10)14)5-9-3-4-16-12(9)7-15/h1-4,6,15H,5,7H2.
What are the key properties of [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol?
[3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol has a molecular weight of 240.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-difluorophenyl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 167993728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).