1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol

C9H11F3OS — CID 61100350

IUPAC1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
SMILESCCc1ccc(C(O)CC(F)(F)F)s1
InChIInChI=1S/C9H11F3OS/c1-2-6-3-4-8(14-6)7(13)5-9(10,11)12/h3-4,7,13H,2,5H2,1H3
InChIKeyUWHPPWOSVREMSU-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.30
Rot. Bonds3

About 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol

1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol (PubChem CID 61100350) has the molecular formula C9H11F3OS and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
PubChem CID61100350
Molecular FormulaC9H11F3OS
Molecular Weight224.25 g/mol
Exact Mass224.05
IUPAC Name1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
SMILESCCc1ccc(C(O)CC(F)(F)F)s1
InChIInChI=1S/C9H11F3OS/c1-2-6-3-4-8(14-6)7(13)5-9(10,11)12/h3-4,7,13H,2,5H2,1H3
InChIKeyUWHPPWOSVREMSU-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
CID 103310684
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 63896096
2-(4-chloro-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 107883554
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150040
5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
CID 62942751

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol (CID 61100350) is 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol is CCc1ccc(C(O)CC(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is UWHPPWOSVREMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3OS/c1-2-6-3-4-8(14-6)7(13)5-9(10,11)12/h3-4,7,13H,2,5H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol?
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 224.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 61100350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).