2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol

C8H11FOS — CID 146610567

IUPAC2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol
SMILESCc1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H11FOS/c1-5-6(9)4-7(11-5)8(2,3)10/h4,10H,1-3H3
InChIKeyNGJXBVYTESEVCJ-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.42
Rot. Bonds1

About 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol

2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol (PubChem CID 146610567) has the molecular formula C8H11FOS and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol
PubChem CID146610567
Molecular FormulaC8H11FOS
Molecular Weight174.24 g/mol
Exact Mass174.05
IUPAC Name2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol
SMILESCc1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H11FOS/c1-5-6(9)4-7(11-5)8(2,3)10/h4,10H,1-3H3
InChIKeyNGJXBVYTESEVCJ-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Thiophen-2-yl)pent-4-yn-2-ol
CID 22404511
2-Thiophen-2-ylpent-4-en-2-ol
CID 11229020
2-(Thiophen-2-yl)propan-2-ol
CID 220065
Methylthienylpropanol
CID 11030069
(S)-1,1,1-trifluoro-2-(thiophen-2-yl)pent-4-en-2-ol
CID 118988132
(S)-1,1,1-trifluoro-2-(thiophen-2-yl)penta-3,4-dien-2-ol
CID 118988138
4,4,4-Trifluoro-2-thiophen-2-ylbutan-2-ol
CID 135044246
(2S)-4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol
CID 164670396
3-Methyl-2-thiophen-2-ylbutan-2-ol
CID 11858909
2-Thiophen-2-yl-hexan-2-ol
CID 49962378
1-Thiophen-2-yl-cyclopropanol
CID 57437551
(2S)-2-thiophen-2-ylbutan-2-ol
CID 59318238

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol (CID 146610567) is 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol is Cc1sc(C(C)(C)O)cc1F.
What is the InChIKey of 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol?
The InChIKey is NGJXBVYTESEVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FOS/c1-5-6(9)4-7(11-5)8(2,3)10/h4,10H,1-3H3.
What are the key properties of 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol?
2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol has a molecular weight of 174.24 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methylthiophen-2-yl)propan-2-ol is sourced from PubChem (CID 146610567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).