1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C8H4Cl2F6OS — CID 103310565

IUPAC1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1cc(Cl)sc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4Cl2F6OS/c9-3-1-2(6(10)18-3)4(17)5(7(11,12)13)8(14,15)16/h1,4-5,17H
InChIKeyKVZCVKVMVZYRCB-UHFFFAOYSA-N
MW333.08 g/mol
LogP4.83
Rot. Bonds2

About 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 103310565) has the molecular formula C8H4Cl2F6OS and a molecular weight of 333.08 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID103310565
Molecular FormulaC8H4Cl2F6OS
Molecular Weight333.08 g/mol
Exact Mass331.93
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOC(c1cc(Cl)sc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4Cl2F6OS/c9-3-1-2(6(10)18-3)4(17)5(7(11,12)13)8(14,15)16/h1,4-5,17H
InChIKeyKVZCVKVMVZYRCB-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.08
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 103310565) is 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is OC(c1cc(Cl)sc1Cl)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is KVZCVKVMVZYRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F6OS/c9-3-1-2(6(10)18-3)4(17)5(7(11,12)13)8(14,15)16/h1,4-5,17H.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 333.08 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 103310565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).