1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol

C12H15F3OS — CID 106848279

IUPAC1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
SMILESCCSc1ccc(C(O)CCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3OS/c1-2-17-10-5-3-9(4-6-10)11(16)7-8-12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeySPGBBQUOEDJEDW-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol

1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 106848279) has the molecular formula C12H15F3OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID106848279
Molecular FormulaC12H15F3OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
SMILESCCSc1ccc(C(O)CCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3OS/c1-2-17-10-5-3-9(4-6-10)11(16)7-8-12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeySPGBBQUOEDJEDW-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylsulfanylphenyl)-4-methylpent-4-en-1-ol
CID 106848426
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254
1-(1,1-difluoro-2-methylpropyl)-4-ethylsulfanylbenzene
CID 116841447
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-[(1R)-1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171173138
(S)-(4-ethylsulfanylphenyl)-(4-fluorophenyl)methanol
CID 7154353
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol (CID 106848279) is 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol is CCSc1ccc(C(O)CCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is SPGBBQUOEDJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3OS/c1-2-17-10-5-3-9(4-6-10)11(16)7-8-12(13,14)15/h3-6,11,16H,2,7-8H2,1H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol?
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 264.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 106848279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).