furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol

C12H9F3O3 — CID 63949975

IUPACfuran-3-yl-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1ccoc1
InChIInChI=1S/C12H9F3O3/c13-12(14,15)18-10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h1-7,11,16H
InChIKeySHBKKXCAXWVVLT-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.26
Rot. Bonds3

About furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol

furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 63949975) has the molecular formula C12H9F3O3 and a molecular weight of 258.19 g/mol. Its IUPAC name is furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Namefuran-3-yl-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID63949975
Molecular FormulaC12H9F3O3
Molecular Weight258.19 g/mol
Exact Mass258.05
IUPAC Namefuran-3-yl-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1ccoc1
InChIInChI=1S/C12H9F3O3/c13-12(14,15)18-10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h1-7,11,16H
InChIKeySHBKKXCAXWVVLT-UHFFFAOYSA-N
XLogP3.26
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
(3-bromofuran-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63943204
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
(2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63893221
thiophen-2-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63893402
(S)-(3,5-difluorophenyl)-(furan-3-yl)methanol
CID 95363998
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
(2-chloro-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 105393834
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733
furan-3-yl-(3,4,5-trimethoxyphenyl)methanol
CID 63948143

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol (CID 63949975) is furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1ccoc1.
What is the InChIKey of furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is SHBKKXCAXWVVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O3/c13-12(14,15)18-10-3-1-8(2-4-10)11(16)9-5-6-17-7-9/h1-7,11,16H.
What are the key properties of furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol?
furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 258.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63949975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).