1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

C17H14F2OS2 — CID 58568109

IUPAC1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1F)c1ccsc1-c1cccs1
InChIInChI=1S/C17H14F2OS2/c1-17(20,10-11-4-5-12(18)9-14(11)19)13-6-8-22-16(13)15-3-2-7-21-15/h2-9,20H,10H2,1H3
InChIKeyHKGKMFZEECUYBT-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.20
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol

1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (PubChem CID 58568109) has the molecular formula C17H14F2OS2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
PubChem CID58568109
Molecular FormulaC17H14F2OS2
Molecular Weight336.43 g/mol
Exact Mass336.05
IUPAC Name1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1F)c1ccsc1-c1cccs1
InChIInChI=1S/C17H14F2OS2/c1-17(20,10-11-4-5-12(18)9-14(11)19)13-6-8-22-16(13)15-3-2-7-21-15/h2-9,20H,10H2,1H3
InChIKeyHKGKMFZEECUYBT-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol (CID 58568109) is 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is CC(O)(Cc1ccc(F)cc1F)c1ccsc1-c1cccs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
The InChIKey is HKGKMFZEECUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2OS2/c1-17(20,10-11-4-5-12(18)9-14(11)19)13-6-8-22-16(13)15-3-2-7-21-15/h2-9,20H,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol?
1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol has a molecular weight of 336.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 58568109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).