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

C7H3Cl2F5OS — CID 61080477

IUPAC1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3Cl2F5OS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4,15H
InChIKeyAQANIQSWYCEXKU-UHFFFAOYSA-N
MW301.06 g/mol
LogP4.29
Rot. Bonds2

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

1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 61080477) has the molecular formula C7H3Cl2F5OS and a molecular weight of 301.06 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID61080477
Molecular FormulaC7H3Cl2F5OS
Molecular Weight301.06 g/mol
Exact Mass299.92
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3Cl2F5OS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4,15H
InChIKeyAQANIQSWYCEXKU-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.06
LogP ≤ 54.29
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)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 61080477) is 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol is OC(c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is AQANIQSWYCEXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F5OS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4,15H.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(2,5-dichlorothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 301.06 g/mol, XLogP of 4.29, 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)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 61080477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).