2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol

C12H11F2NOS — CID 15941937

IUPAC2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol
SMILESCc1csc(-c2ccc(C(O)C(F)F)cc2)n1
InChIInChI=1S/C12H11F2NOS/c1-7-6-17-12(15-7)9-4-2-8(3-5-9)10(16)11(13)14/h2-6,10-11,16H,1H3
InChIKeyHXVXJZQYYIVWKI-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.42
Rot. Bonds3

About 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol

2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol (PubChem CID 15941937) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol
PubChem CID15941937
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol
SMILESCc1csc(-c2ccc(C(O)C(F)F)cc2)n1
InChIInChI=1S/C12H11F2NOS/c1-7-6-17-12(15-7)9-4-2-8(3-5-9)10(16)11(13)14/h2-6,10-11,16H,1H3
InChIKeyHXVXJZQYYIVWKI-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol?
The IUPAC name of 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol (CID 15941937) is 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol is Cc1csc(-c2ccc(C(O)C(F)F)cc2)n1.
What is the InChIKey of 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol?
The InChIKey is HXVXJZQYYIVWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c1-7-6-17-12(15-7)9-4-2-8(3-5-9)10(16)11(13)14/h2-6,10-11,16H,1H3.
What are the key properties of 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol?
2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol has a molecular weight of 255.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]ethanol is sourced from PubChem (CID 15941937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).