[2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol

C12H9F3OS — CID 21100023

IUPAC[2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1ccsc1C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11-10(5-6-17-11)9-4-2-1-3-8(9)7-16/h1-6,16H,7H2
InChIKeyHDKMBXYIOAFDCW-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.93
Rot. Bonds2

About [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol

[2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol (PubChem CID 21100023) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol
PubChem CID21100023
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name[2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1ccsc1C(F)(F)F
InChIInChI=1S/C12H9F3OS/c13-12(14,15)11-10(5-6-17-11)9-4-2-1-3-8(9)7-16/h1-6,16H,7H2
InChIKeyHDKMBXYIOAFDCW-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol?
The IUPAC name of [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol (CID 21100023) is [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol is OCc1ccccc1-c1ccsc1C(F)(F)F.
What is the InChIKey of [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol?
The InChIKey is HDKMBXYIOAFDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c13-12(14,15)11-10(5-6-17-11)9-4-2-1-3-8(9)7-16/h1-6,16H,7H2.
What are the key properties of [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol?
[2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol has a molecular weight of 258.26 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethyl)thiophen-3-yl]phenyl]methanol is sourced from PubChem (CID 21100023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).