1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C10H11ClF4O2S — CID 103474045

IUPAC1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C10H11ClF4O2S/c11-8-2-1-7(18-8)3-6(16)4-17-5-10(14,15)9(12)13/h1-2,6,9,16H,3-5H2
InChIKeyGBKDWJJVDUMECY-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.22
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103474045) has the molecular formula C10H11ClF4O2S and a molecular weight of 306.71 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103474045
Molecular FormulaC10H11ClF4O2S
Molecular Weight306.71 g/mol
Exact Mass306.01
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESOC(COCC(F)(F)C(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C10H11ClF4O2S/c11-8-2-1-7(18-8)3-6(16)4-17-5-10(14,15)9(12)13/h1-2,6,9,16H,3-5H2
InChIKeyGBKDWJJVDUMECY-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
1-(5-chlorothiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475112
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474152
1-(5-bromo-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473973
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474059
1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474078
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135
1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473924

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103474045) is 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is OC(COCC(F)(F)C(F)F)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is GBKDWJJVDUMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4O2S/c11-8-2-1-7(18-8)3-6(16)4-17-5-10(14,15)9(12)13/h1-2,6,9,16H,3-5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 306.71 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103474045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).