[5-[chloro(difluoro)methyl]thiophen-2-yl]methanol

C6H5ClF2OS — CID 67925992

IUPAC[5-[chloro(difluoro)methyl]thiophen-2-yl]methanol
SMILESOCc1ccc(C(F)(F)Cl)s1
InChIInChI=1S/C6H5ClF2OS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2,10H,3H2
InChIKeyPRLAAANAPCSJFL-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.53
Rot. Bonds2

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

[5-[chloro(difluoro)methyl]thiophen-2-yl]methanol (PubChem CID 67925992) has the molecular formula C6H5ClF2OS and a molecular weight of 198.62 g/mol. Its IUPAC name is [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[chloro(difluoro)methyl]thiophen-2-yl]methanol
PubChem CID67925992
Molecular FormulaC6H5ClF2OS
Molecular Weight198.62 g/mol
Exact Mass197.97
IUPAC Name[5-[chloro(difluoro)methyl]thiophen-2-yl]methanol
SMILESOCc1ccc(C(F)(F)Cl)s1
InChIInChI=1S/C6H5ClF2OS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2,10H,3H2
InChIKeyPRLAAANAPCSJFL-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol?
The IUPAC name of [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol (CID 67925992) is [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol is OCc1ccc(C(F)(F)Cl)s1.
What is the InChIKey of [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol?
The InChIKey is PRLAAANAPCSJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2OS/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2,10H,3H2.
What are the key properties of [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol?
[5-[chloro(difluoro)methyl]thiophen-2-yl]methanol has a molecular weight of 198.62 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[chloro(difluoro)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 67925992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).