1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol

C14H17F3O2S2 — CID 158976619

IUPAC1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
SMILESCC(O)c1ccsc1.CC(c1ccsc1)C(O)C(F)(F)F
InChIInChI=1S/C8H9F3OS.C6H8OS/c1-5(6-2-3-13-4-6)7(12)8(9,10)11;1-5(7)6-2-3-8-4-6/h2-5,7,12H,1H3;2-5,7H,1H3
InChIKeyJOLYFQNIGMULKC-UHFFFAOYSA-N
MW338.42 g/mol
LogP4.58
Rot. Bonds3

About 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol

1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol (PubChem CID 158976619) has the molecular formula C14H17F3O2S2 and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
PubChem CID158976619
Molecular FormulaC14H17F3O2S2
Molecular Weight338.42 g/mol
Exact Mass338.06
IUPAC Name1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
SMILESCC(O)c1ccsc1.CC(c1ccsc1)C(O)C(F)(F)F
InChIInChI=1S/C8H9F3OS.C6H8OS/c1-5(6-2-3-13-4-6)7(12)8(9,10)11;1-5(7)6-2-3-8-4-6/h2-5,7,12H,1H3;2-5,7H,1H3
InChIKeyJOLYFQNIGMULKC-UHFFFAOYSA-N
XLogP4.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62789605
3-(3,3-dimethylbutan-2-yl)thiophene;ethane
CID 143105363
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
The IUPAC name of 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol (CID 158976619) is 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol is CC(O)c1ccsc1.CC(c1ccsc1)C(O)C(F)(F)F.
What is the InChIKey of 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
The InChIKey is JOLYFQNIGMULKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3OS.C6H8OS/c1-5(6-2-3-13-4-6)7(12)8(9,10)11;1-5(7)6-2-3-8-4-6/h2-5,7,12H,1H3;2-5,7H,1H3.
What are the key properties of 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol?
1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol has a molecular weight of 338.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 158976619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).