(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol

C14H12F4OS — CID 81157519

IUPAC(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C)c(C(O)c2cc(C(F)(F)F)ccc2F)s1
InChIInChI=1S/C14H12F4OS/c1-7-5-8(2)20-13(7)12(19)10-6-9(14(16,17)18)3-4-11(10)15/h3-6,12,19H,1-2H3
InChIKeyVIVIZUKXAKLSBG-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.60
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol

(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 81157519) has the molecular formula C14H12F4OS and a molecular weight of 304.31 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID81157519
Molecular FormulaC14H12F4OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C)c(C(O)c2cc(C(F)(F)F)ccc2F)s1
InChIInChI=1S/C14H12F4OS/c1-7-5-8(2)20-13(7)12(19)10-6-9(14(16,17)18)3-4-11(10)15/h3-6,12,19H,1-2H3
InChIKeyVIVIZUKXAKLSBG-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
CID 81158529
(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methanol
CID 81158627
1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 69345196
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 113396535
2-[bromo-(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81158655
(2-fluoro-5-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 62791138
(3,5-dimethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 81157473
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
[2-fluoro-5-(trifluoromethyl)phenyl]-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 140866705

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 81157519) is (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol is Cc1cc(C)c(C(O)c2cc(C(F)(F)F)ccc2F)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is VIVIZUKXAKLSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4OS/c1-7-5-8(2)20-13(7)12(19)10-6-9(14(16,17)18)3-4-11(10)15/h3-6,12,19H,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.31 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 81157519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).