(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol

C13H11F3OS — CID 63186629

IUPAC(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1cc(C(O)c2cc(F)c(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H11F3OS/c1-6-3-9(7(2)18-6)13(17)8-4-10(14)12(16)11(15)5-8/h3-5,13,17H,1-2H3
InChIKeyDYCPDYQHJITKDR-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.86
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol

(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 63186629) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
PubChem CID63186629
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1cc(C(O)c2cc(F)c(F)c(F)c2)c(C)s1
InChIInChI=1S/C13H11F3OS/c1-6-3-9(7(2)18-6)13(17)8-4-10(14)12(16)11(15)5-8/h3-5,13,17H,1-2H3
InChIKeyDYCPDYQHJITKDR-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 65100285
N-[(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63185029
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
(2,5-dimethylthiophen-3-yl)-(3-fluoro-4-pyridinyl)methanol
CID 104737571
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
(2,5-dimethylthiophen-3-yl)-(furan-3-yl)methanol
CID 61087975
(2,5-dimethylthiophen-3-yl)-(4-phenylphenyl)methanol
CID 65453801
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
CID 63901158
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanamine
CID 43119710
(2,5-dimethylthiophen-3-yl)-(1-ethylpyrazol-4-yl)methanol
CID 63901362
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol (CID 63186629) is (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol is Cc1cc(C(O)c2cc(F)c(F)c(F)c2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is DYCPDYQHJITKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c1-6-3-9(7(2)18-6)13(17)8-4-10(14)12(16)11(15)5-8/h3-5,13,17H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol?
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 272.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 63186629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).