2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol

C14H14F2OS — CID 164896710

IUPAC2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(F)c(-c2ccsc2)c(F)c1
InChIInChI=1S/C14H14F2OS/c1-14(2,8-17)10-5-11(15)13(12(16)6-10)9-3-4-18-7-9/h3-7,17H,8H2,1-2H3
InChIKeyPYSMTEGJTSNYBK-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.96
Rot. Bonds3

About 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol

2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol (PubChem CID 164896710) has the molecular formula C14H14F2OS and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol
PubChem CID164896710
Molecular FormulaC14H14F2OS
Molecular Weight268.33 g/mol
Exact Mass268.07
IUPAC Name2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(F)c(-c2ccsc2)c(F)c1
InChIInChI=1S/C14H14F2OS/c1-14(2,8-17)10-5-11(15)13(12(16)6-10)9-3-4-18-7-9/h3-7,17H,8H2,1-2H3
InChIKeyPYSMTEGJTSNYBK-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol (CID 164896710) is 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol is CC(C)(CO)c1cc(F)c(-c2ccsc2)c(F)c1.
What is the InChIKey of 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is PYSMTEGJTSNYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2OS/c1-14(2,8-17)10-5-11(15)13(12(16)6-10)9-3-4-18-7-9/h3-7,17H,8H2,1-2H3.
What are the key properties of 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol?
2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-thiophen-3-ylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 164896710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).