(5-chloro-3-fluorothiophen-2-yl)methanol

C5H4ClFOS — CID 164517317

IUPAC(5-chloro-3-fluorothiophen-2-yl)methanol
SMILESOCc1sc(Cl)cc1F
InChIInChI=1S/C5H4ClFOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2
InChIKeyOSUUSLXLISGTGW-UHFFFAOYSA-N
MW166.60 g/mol
LogP2.03
Rot. Bonds1

About (5-chloro-3-fluorothiophen-2-yl)methanol

(5-chloro-3-fluorothiophen-2-yl)methanol (PubChem CID 164517317) has the molecular formula C5H4ClFOS and a molecular weight of 166.60 g/mol. Its IUPAC name is (5-chloro-3-fluorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-chloro-3-fluorothiophen-2-yl)methanol
PubChem CID164517317
Molecular FormulaC5H4ClFOS
Molecular Weight166.60 g/mol
Exact Mass165.97
IUPAC Name(5-chloro-3-fluorothiophen-2-yl)methanol
SMILESOCc1sc(Cl)cc1F
InChIInChI=1S/C5H4ClFOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2
InChIKeyOSUUSLXLISGTGW-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-fluorothiophen-2-yl)methanol?
The IUPAC name of (5-chloro-3-fluorothiophen-2-yl)methanol (CID 164517317) is (5-chloro-3-fluorothiophen-2-yl)methanol.
What is the SMILES notation for (5-chloro-3-fluorothiophen-2-yl)methanol?
The canonical SMILES for (5-chloro-3-fluorothiophen-2-yl)methanol is OCc1sc(Cl)cc1F.
What is the InChIKey of (5-chloro-3-fluorothiophen-2-yl)methanol?
The InChIKey is OSUUSLXLISGTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFOS/c6-5-1-3(7)4(2-8)9-5/h1,8H,2H2.
What are the key properties of (5-chloro-3-fluorothiophen-2-yl)methanol?
(5-chloro-3-fluorothiophen-2-yl)methanol has a molecular weight of 166.60 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-fluorothiophen-2-yl)methanol is sourced from PubChem (CID 164517317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).