2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol

C12H17F3OS — CID 112745718

IUPAC2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol
SMILESCCCCC(C)C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C12H17F3OS/c1-3-4-5-8(2)11(16)9-6-17-7-10(9)12(13,14)15/h6-8,11,16H,3-5H2,1-2H3
InChIKeyDRRQHBKNCQMYFH-UHFFFAOYSA-N
MW266.33 g/mol
LogP4.63
Rot. Bonds5

About 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol

2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol (PubChem CID 112745718) has the molecular formula C12H17F3OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol
PubChem CID112745718
Molecular FormulaC12H17F3OS
Molecular Weight266.33 g/mol
Exact Mass266.10
IUPAC Name2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol
SMILESCCCCC(C)C(O)c1cscc1C(F)(F)F
InChIInChI=1S/C12H17F3OS/c1-3-4-5-8(2)11(16)9-6-17-7-10(9)12(13,14)15/h6-8,11,16H,3-5H2,1-2H3
InChIKeyDRRQHBKNCQMYFH-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol?
The IUPAC name of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol (CID 112745718) is 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol.
What is the SMILES notation for 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol?
The canonical SMILES for 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol is CCCCC(C)C(O)c1cscc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol?
The InChIKey is DRRQHBKNCQMYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3OS/c1-3-4-5-8(2)11(16)9-6-17-7-10(9)12(13,14)15/h6-8,11,16H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol?
2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol has a molecular weight of 266.33 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]hexan-1-ol is sourced from PubChem (CID 112745718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).