(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C13H9BrF4OS — CID 107287912

IUPAC(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCc1sc(C(O)c2ccc(C(F)(F)F)c(F)c2)cc1Br
InChIInChI=1S/C13H9BrF4OS/c1-6-9(14)5-11(20-6)12(19)7-2-3-8(10(15)4-7)13(16,17)18/h2-5,12,19H,1H3
InChIKeyBLGNHBPZXFBVSM-UHFFFAOYSA-N
MW369.18 g/mol
LogP5.06
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107287912) has the molecular formula C13H9BrF4OS and a molecular weight of 369.18 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107287912
Molecular FormulaC13H9BrF4OS
Molecular Weight369.18 g/mol
Exact Mass367.95
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCc1sc(C(O)c2ccc(C(F)(F)F)c(F)c2)cc1Br
InChIInChI=1S/C13H9BrF4OS/c1-6-9(14)5-11(20-6)12(19)7-2-3-8(10(15)4-7)13(16,17)18/h2-5,12,19H,1H3
InChIKeyBLGNHBPZXFBVSM-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.18
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288463
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
(4-bromo-5-methylthiophen-2-yl)-(3,4-dichlorophenyl)methanol
CID 102829537
(4-bromo-5-methylthiophen-2-yl)-(3-chloro-4-methylphenyl)methanol
CID 102834859
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699
(3-bromo-2,6-difluorophenyl)-(4-bromo-5-methylthiophen-2-yl)methanol
CID 106941526
(2,4-dimethylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287245
(4-bromo-5-methylthiophen-2-yl)-(4-propylphenyl)methanol
CID 102829642
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107287912) is (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is Cc1sc(C(O)c2ccc(C(F)(F)F)c(F)c2)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is BLGNHBPZXFBVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4OS/c1-6-9(14)5-11(20-6)12(19)7-2-3-8(10(15)4-7)13(16,17)18/h2-5,12,19H,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 369.18 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107287912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).