1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol

C13H10BrF3O2 — CID 62498917

IUPAC1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C13H10BrF3O2/c1-7(18)11-4-5-12(19-11)9-3-2-8(14)6-10(9)13(15,16)17/h2-7,18H,1H3
InChIKeyVDXJLWOZRMSOGW-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.78
Rot. Bonds2

About 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol

1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol (PubChem CID 62498917) has the molecular formula C13H10BrF3O2 and a molecular weight of 335.12 g/mol. Its IUPAC name is 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
PubChem CID62498917
Molecular FormulaC13H10BrF3O2
Molecular Weight335.12 g/mol
Exact Mass333.98
IUPAC Name1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C13H10BrF3O2/c1-7(18)11-4-5-12(19-11)9-3-2-8(14)6-10(9)13(15,16)17/h2-7,18H,1H3
InChIKeyVDXJLWOZRMSOGW-UHFFFAOYSA-N
XLogP4.78
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
The IUPAC name of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol (CID 62498917) is 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
The canonical SMILES for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol is CC(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1.
What is the InChIKey of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
The InChIKey is VDXJLWOZRMSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3O2/c1-7(18)11-4-5-12(19-11)9-3-2-8(14)6-10(9)13(15,16)17/h2-7,18H,1H3.
What are the key properties of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol has a molecular weight of 335.12 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]ethanol is sourced from PubChem (CID 62498917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).