1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol

C14H14F2OS — CID 114910631

IUPAC1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2ccc(F)cc2F)s1
InChIInChI=1S/C14H14F2OS/c1-9-3-6-13(18-9)14(2,17)8-10-4-5-11(15)7-12(10)16/h3-7,17H,8H2,1-2H3
InChIKeyDYSCBZUUGJVLJE-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.78
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol

1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol (PubChem CID 114910631) has the molecular formula C14H14F2OS and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
PubChem CID114910631
Molecular FormulaC14H14F2OS
Molecular Weight268.33 g/mol
Exact Mass268.07
IUPAC Name1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(O)Cc2ccc(F)cc2F)s1
InChIInChI=1S/C14H14F2OS/c1-9-3-6-13(18-9)14(2,17)8-10-4-5-11(15)7-12(10)16/h3-7,17H,8H2,1-2H3
InChIKeyDYSCBZUUGJVLJE-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol (CID 114910631) is 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol is Cc1ccc(C(C)(O)Cc2ccc(F)cc2F)s1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
The InChIKey is DYSCBZUUGJVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2OS/c1-9-3-6-13(18-9)14(2,17)8-10-4-5-11(15)7-12(10)16/h3-7,17H,8H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol?
1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol has a molecular weight of 268.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(5-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 114910631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).