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

C12H9F3OS — CID 62789605

IUPACthiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3OS/c13-12(14,15)10-3-1-2-8(6-10)11(16)9-4-5-17-7-9/h1-7,11,16H
InChIKeyIIMGKVHHYJCXGR-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.85
Rot. Bonds2

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

thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 62789605) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namethiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
PubChem CID62789605
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Namethiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccsc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3OS/c13-12(14,15)10-3-1-2-8(6-10)11(16)9-4-5-17-7-9/h1-7,11,16H
InChIKeyIIMGKVHHYJCXGR-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 107978303
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
pyrimidin-5-yl-[3-(trifluoromethyl)phenyl]methanol
CID 62491180
1-[(R)-thiophen-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179883
3-methyl-1-[3-(trifluoromethyl)phenyl]but-2-en-1-ol
CID 59652784
N-[(3R)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 99981469
(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(3-bromo-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 115792429
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 99981653
2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 107432176
2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511327

Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol (CID 62789605) is thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol is OC(c1ccsc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is IIMGKVHHYJCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c13-12(14,15)10-3-1-2-8(6-10)11(16)9-4-5-17-7-9/h1-7,11,16H.
What are the key properties of thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol?
thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 258.26 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 62789605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).