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

C14H12BrF3O2 — CID 62633836

IUPAC1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H12BrF3O2/c1-2-11(19)13-6-5-12(20-13)9-4-3-8(15)7-10(9)14(16,17)18/h3-7,11,19H,2H2,1H3
InChIKeyHYDQOIHWQYSMPP-UHFFFAOYSA-N
MW349.15 g/mol
LogP5.17
Rot. Bonds3

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

1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (PubChem CID 62633836) has the molecular formula C14H12BrF3O2 and a molecular weight of 349.15 g/mol. Its IUPAC name is 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
PubChem CID62633836
Molecular FormulaC14H12BrF3O2
Molecular Weight349.15 g/mol
Exact Mass348.00
IUPAC Name1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H12BrF3O2/c1-2-11(19)13-6-5-12(20-13)9-4-3-8(15)7-10(9)14(16,17)18/h3-7,11,19H,2H2,1H3
InChIKeyHYDQOIHWQYSMPP-UHFFFAOYSA-N
XLogP5.17
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.15
LogP ≤ 55.17
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]propan-1-ol?
The IUPAC name of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol (CID 62633836) is 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol is CCC(O)c1ccc(-c2ccc(Br)cc2C(F)(F)F)o1.
What is the InChIKey of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
The InChIKey is HYDQOIHWQYSMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3O2/c1-2-11(19)13-6-5-12(20-13)9-4-3-8(15)7-10(9)14(16,17)18/h3-7,11,19H,2H2,1H3.
What are the key properties of 1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol?
1-[5-[4-bromo-2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol has a molecular weight of 349.15 g/mol, XLogP of 5.17, 3 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]propan-1-ol is sourced from PubChem (CID 62633836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).