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

C19H10ClF7OS — CID 13127227

IUPAC2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H10ClF7OS/c20-12-5-1-11(2-6-12)16-14(10-3-7-13(21)8-4-10)9-15(29-16)17(28,18(22,23)24)19(25,26)27/h1-9,28H
InChIKeyWUTCCEPVRYBJAO-UHFFFAOYSA-N
MW454.79 g/mol
LogP7.19
Rot. Bonds3

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

2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 13127227) has the molecular formula C19H10ClF7OS and a molecular weight of 454.79 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID13127227
Molecular FormulaC19H10ClF7OS
Molecular Weight454.79 g/mol
Exact Mass454.00
IUPAC Name2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H10ClF7OS/c20-12-5-1-11(2-6-12)16-14(10-3-7-13(21)8-4-10)9-15(29-16)17(28,18(22,23)24)19(25,26)27/h1-9,28H
InChIKeyWUTCCEPVRYBJAO-UHFFFAOYSA-N
XLogP7.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.79
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

[5-(4-Chlorophenyl)-4-(4-fluorophenyl)-2-propan-2-ylthiophen-3-yl]methanol
CID 11121971
2-[(4-Chlorophenyl)sulfanyl]-1,1-bis(4-fluorophenyl)-1-ethanol
CID 2767141
1,1-Bis(4-chlorophenyl)-2-[(4-fluorophenyl)sulfanyl]-1-ethanol
CID 2767153
Bis(4-chlorophenyl)-(3-methylthiophen-2-yl)methanol
CID 56669321
(5-Chlorothiophen-2-yl)-(4-fluorophenyl)methanol
CID 61088932
2-[4,5-Bis(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 13127223
2-[4,5-Bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluoropropan-2-ol
CID 13127229
2-[4,5-Bis(4-fluorophenyl)thiophen-2-yl]-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol
CID 13127230
2-[4,5-Bis(4-fluorophenyl)thiophen-2-yl]-1-chloro-1,1,3,3,3-pentafluoropropan-2-ol
CID 13127232
2-[4,5-Bis(4-fluorophenyl)thiophen-2-yl]-1,1,1-trifluorobutan-2-ol
CID 13127245
4,5-Bis(4-fluorophenyl)-alpha-methyl-alpha-pentafluoroethyl-2-thiophenemethanol
CID 13127246
2-[4,5-Bis(4-fluorophenyl)-3-methylthiophen-2-yl]-1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ol
CID 13127247

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 13127227) is 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1cc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is WUTCCEPVRYBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF7OS/c20-12-5-1-11(2-6-12)16-14(10-3-7-13(21)8-4-10)9-15(29-16)17(28,18(22,23)24)19(25,26)27/h1-9,28H.
What are the key properties of 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 454.79 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-(4-fluorophenyl)thiophen-2-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 13127227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).