1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol

C7H4Cl2F4OS — CID 79660188

IUPAC1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1cc(Cl)sc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C7H4Cl2F4OS/c8-3-1-2(5(9)15-3)4(14)7(12,13)6(10)11/h1,4,6,14H
InChIKeyPFPNQDQQURELRJ-UHFFFAOYSA-N
MW283.07 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol

1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol (PubChem CID 79660188) has the molecular formula C7H4Cl2F4OS and a molecular weight of 283.07 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol
PubChem CID79660188
Molecular FormulaC7H4Cl2F4OS
Molecular Weight283.07 g/mol
Exact Mass281.93
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1cc(Cl)sc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C7H4Cl2F4OS/c8-3-1-2(5(9)15-3)4(14)7(12,13)6(10)11/h1,4,6,14H
InChIKeyPFPNQDQQURELRJ-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol (CID 79660188) is 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol is OC(c1cc(Cl)sc1Cl)C(F)(F)C(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol?
The InChIKey is PFPNQDQQURELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F4OS/c8-3-1-2(5(9)15-3)4(14)7(12,13)6(10)11/h1,4,6,14H.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol?
1-(2,5-dichlorothiophen-3-yl)-2,2,3,3-tetrafluoropropan-1-ol has a molecular weight of 283.07 g/mol, XLogP of 3.99, 3 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)-2,2,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 79660188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).