1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol

C7H7ClF2OS — CID 102764454

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol
SMILESCc1cc(C(O)C(F)F)sc1Cl
InChIInChI=1S/C7H7ClF2OS/c1-3-2-4(12-6(3)8)5(11)7(9)10/h2,5,7,11H,1H3
InChIKeyIHYLVXDCCKZBQT-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.01
Rot. Bonds2

About 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol

1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol (PubChem CID 102764454) has the molecular formula C7H7ClF2OS and a molecular weight of 212.65 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol
PubChem CID102764454
Molecular FormulaC7H7ClF2OS
Molecular Weight212.65 g/mol
Exact Mass211.99
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol
SMILESCc1cc(C(O)C(F)F)sc1Cl
InChIInChI=1S/C7H7ClF2OS/c1-3-2-4(12-6(3)8)5(11)7(9)10/h2,5,7,11H,1H3
InChIKeyIHYLVXDCCKZBQT-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol (CID 102764454) is 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol is Cc1cc(C(O)C(F)F)sc1Cl.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol?
The InChIKey is IHYLVXDCCKZBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2OS/c1-3-2-4(12-6(3)8)5(11)7(9)10/h2,5,7,11H,1H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol?
1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol has a molecular weight of 212.65 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol is sourced from PubChem (CID 102764454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).