[5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol

C6H5ClF2OS — CID 67925994

IUPAC[5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol
SMILESOCc1sc(Cl)cc1C(F)F
InChIInChI=1S/C6H5ClF2OS/c7-5-1-3(6(8)9)4(2-10)11-5/h1,6,10H,2H2
InChIKeyVSFPTJNBQWKJPD-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.83
Rot. Bonds2

About [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol

[5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol (PubChem CID 67925994) has the molecular formula C6H5ClF2OS and a molecular weight of 198.62 g/mol. Its IUPAC name is [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol
PubChem CID67925994
Molecular FormulaC6H5ClF2OS
Molecular Weight198.62 g/mol
Exact Mass197.97
IUPAC Name[5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol
SMILESOCc1sc(Cl)cc1C(F)F
InChIInChI=1S/C6H5ClF2OS/c7-5-1-3(6(8)9)4(2-10)11-5/h1,6,10H,2H2
InChIKeyVSFPTJNBQWKJPD-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol?
The IUPAC name of [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol (CID 67925994) is [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol is OCc1sc(Cl)cc1C(F)F.
What is the InChIKey of [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol?
The InChIKey is VSFPTJNBQWKJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2OS/c7-5-1-3(6(8)9)4(2-10)11-5/h1,6,10H,2H2.
What are the key properties of [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol?
[5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol has a molecular weight of 198.62 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(difluoromethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 67925994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).