2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol

C19H13F5OS — CID 13127229

IUPAC2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1)C(F)(F)F
InChIInChI=1S/C19H13F5OS/c1-18(25,19(22,23)24)16-10-15(11-2-6-13(20)7-3-11)17(26-16)12-4-8-14(21)9-5-12/h2-10,25H,1H3
InChIKeyJXTGEVAXPFMWPO-UHFFFAOYSA-N
MW384.37 g/mol
LogP6.13
Rot. Bonds3

About 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol

2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 13127229) has the molecular formula C19H13F5OS and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID13127229
Molecular FormulaC19H13F5OS
Molecular Weight384.37 g/mol
Exact Mass384.06
IUPAC Name2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1)C(F)(F)F
InChIInChI=1S/C19H13F5OS/c1-18(25,19(22,23)24)16-10-15(11-2-6-13(20)7-3-11)17(26-16)12-4-8-14(21)9-5-12/h2-10,25H,1H3
InChIKeyJXTGEVAXPFMWPO-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.37
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol (CID 13127229) is 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1)C(F)(F)F.
What is the InChIKey of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is JXTGEVAXPFMWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5OS/c1-18(25,19(22,23)24)16-10-15(11-2-6-13(20)7-3-11)17(26-16)12-4-8-14(21)9-5-12/h2-10,25H,1H3.
What are the key properties of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol?
2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 384.37 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 13127229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).