1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol

C10H13F3OS — CID 115808765

IUPAC1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
SMILESCc1cc(C(O)CCC(F)(F)F)sc1C
InChIInChI=1S/C10H13F3OS/c1-6-5-9(15-7(6)2)8(14)3-4-10(11,12)13/h5,8,14H,3-4H2,1-2H3
InChIKeyMJWIFSHTIRSSRB-UHFFFAOYSA-N
MW238.27 g/mol
LogP3.74
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol

1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 115808765) has the molecular formula C10H13F3OS and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID115808765
Molecular FormulaC10H13F3OS
Molecular Weight238.27 g/mol
Exact Mass238.06
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol
SMILESCc1cc(C(O)CCC(F)(F)F)sc1C
InChIInChI=1S/C10H13F3OS/c1-6-5-9(15-7(6)2)8(14)3-4-10(11,12)13/h5,8,14H,3-4H2,1-2H3
InChIKeyMJWIFSHTIRSSRB-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)oct-7-en-1-ol
CID 107012353
1-(4,5-dimethylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 115787194
5,5,5-trifluoro-1-(5-methylthiophen-2-yl)pentan-1-ol
CID 115515429
1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-1-ol
CID 64565140
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66459897
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266
5,5,5-trifluoro-1-thieno[3,2-b]thiophen-5-ylpentan-1-ol
CID 115828390
2-bromo-5-(1-bromo-4,4,4-trifluorobutyl)-3-methylthiophene
CID 79991805
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812072
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol (CID 115808765) is 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol is Cc1cc(C(O)CCC(F)(F)F)sc1C.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is MJWIFSHTIRSSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3OS/c1-6-5-9(15-7(6)2)8(14)3-4-10(11,12)13/h5,8,14H,3-4H2,1-2H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol?
1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 238.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 115808765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).