2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H10F8OS — CID 13127223

IUPAC2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H10F8OS/c20-12-5-1-10(2-6-12)14-9-15(17(28,18(22,23)24)19(25,26)27)29-16(14)11-3-7-13(21)8-4-11/h1-9,28H
InChIKeyIQRXPAAPIFZTEY-UHFFFAOYSA-N
MW438.34 g/mol
LogP6.67
Rot. Bonds3

About 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 13127223) has the molecular formula C19H10F8OS and a molecular weight of 438.34 g/mol. Its IUPAC name is 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID13127223
Molecular FormulaC19H10F8OS
Molecular Weight438.34 g/mol
Exact Mass438.03
IUPAC Name2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H10F8OS/c20-12-5-1-10(2-6-12)14-9-15(17(28,18(22,23)24)19(25,26)27)29-16(14)11-3-7-13(21)8-4-11/h1-9,28H
InChIKeyIQRXPAAPIFZTEY-UHFFFAOYSA-N
XLogP6.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.34
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(3-Fluorophenyl)-2-thienyl]phenol
CID 25192480
3-[5-(4-Fluorophenyl)-2-thienyl]phenol
CID 25192620
1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
3-[5-(3,4-Difluorophenyl)-2-thienyl]phenol
CID 44542795
2,6-Difluoro-4-[5-(3-hydroxyphenyl)-2-thienyl]phenol
CID 25192478
2-Fluoro-4-[5-(3-fluoro-5-hydroxyphenyl)thien-2-yl]phenol
CID 44542194
2-Fluoro-4-[5-(4-fluoro-3-hydroxyphenyl)thien-2-yl]phenol
CID 44543108
1,1,1,3,3,3-Hexafluoro-2-(4-(p-tolylthio)phenyl)propan-2-ol
CID 52949995
3-Fluoro-4-[5-(2-fluoro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
CID 71624798
4-[4,5-Bis(2-fluoro-4-hydroxyphenyl)thiophen-2-yl]-3-fluorophenol
CID 71625041
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
Diphenyl(thiophen-2-yl)methanol
CID 315631

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 13127223) is 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is IQRXPAAPIFZTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F8OS/c20-12-5-1-10(2-6-12)14-9-15(17(28,18(22,23)24)19(25,26)27)29-16(14)11-3-7-13(21)8-4-11/h1-9,28H.
What are the key properties of 2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4,5-bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 438.34 g/mol, XLogP of 6.67, 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]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 13127223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).