1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol

C6H5ClF2OS — CID 80604626

IUPAC1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)s1)C(F)F
InChIInChI=1S/C6H5ClF2OS/c7-4-2-1-3(11-4)5(10)6(8)9/h1-2,5-6,10H
InChIKeyJGNXNACCUXVRFJ-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.70
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol

1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol (PubChem CID 80604626) has the molecular formula C6H5ClF2OS and a molecular weight of 198.62 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol
PubChem CID80604626
Molecular FormulaC6H5ClF2OS
Molecular Weight198.62 g/mol
Exact Mass197.97
IUPAC Name1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)s1)C(F)F
InChIInChI=1S/C6H5ClF2OS/c7-4-2-1-3(11-4)5(10)6(8)9/h1-2,5-6,10H
InChIKeyJGNXNACCUXVRFJ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol (CID 80604626) is 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol is OC(c1ccc(Cl)s1)C(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol?
The InChIKey is JGNXNACCUXVRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2OS/c7-4-2-1-3(11-4)5(10)6(8)9/h1-2,5-6,10H.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol?
1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol has a molecular weight of 198.62 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2,2-difluoroethanol is sourced from PubChem (CID 80604626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).