[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol

C13H8F6O2 — CID 728188

IUPAC[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C13H8F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-5,20H,6H2
InChIKeyMEZRDJVJFDVHKZ-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.48
Rot. Bonds2

About [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol

[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol (PubChem CID 728188) has the molecular formula C13H8F6O2 and a molecular weight of 310.19 g/mol. Its IUPAC name is [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol
PubChem CID728188
Molecular FormulaC13H8F6O2
Molecular Weight310.19 g/mol
Exact Mass310.04
IUPAC Name[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol
SMILESOCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1
InChIInChI=1S/C13H8F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-5,20H,6H2
InChIKeyMEZRDJVJFDVHKZ-UHFFFAOYSA-N
XLogP4.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol?
The IUPAC name of [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol (CID 728188) is [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol?
The canonical SMILES for [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol is OCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1.
What is the InChIKey of [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol?
The InChIKey is MEZRDJVJFDVHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6O2/c14-12(15,16)8-3-7(4-9(5-8)13(17,18)19)11-2-1-10(6-20)21-11/h1-5,20H,6H2.
What are the key properties of [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol?
[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol has a molecular weight of 310.19 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol is sourced from PubChem (CID 728188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).