(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol

C12H7Cl2F3O2S — CID 107969653

IUPAC(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H7Cl2F3O2S/c13-9-5-8(11(14)20-9)10(18)6-2-1-3-7(4-6)19-12(15,16)17/h1-5,10,18H
InChIKeyOIWWRSHISJVERX-UHFFFAOYSA-N
MW343.15 g/mol
LogP5.04
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol

(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 107969653) has the molecular formula C12H7Cl2F3O2S and a molecular weight of 343.15 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID107969653
Molecular FormulaC12H7Cl2F3O2S
Molecular Weight343.15 g/mol
Exact Mass341.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1cccc(OC(F)(F)F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H7Cl2F3O2S/c13-9-5-8(11(14)20-9)10(18)6-2-1-3-7(4-6)19-12(15,16)17/h1-5,10,18H
InChIKeyOIWWRSHISJVERX-UHFFFAOYSA-N
XLogP5.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.15
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
(2,5-dichlorothiophen-3-yl)-phenylmethanol
CID 61082614
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(5-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63894130
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(3-bromo-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115566361
(3-bromo-2-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107104966
(3-iodophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 115796305
(4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917572

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol (CID 107969653) is (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol is OC(c1cccc(OC(F)(F)F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is OIWWRSHISJVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3O2S/c13-9-5-8(11(14)20-9)10(18)6-2-1-3-7(4-6)19-12(15,16)17/h1-5,10,18H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol?
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 343.15 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 107969653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).