2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol

C14H13ClF3NO2 — CID 45119615

IUPAC2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1oc(-c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H13ClF3NO2/c1-19(6-7-20)13-11(14(16,17)18)8-12(21-13)9-2-4-10(15)5-3-9/h2-5,8,20H,6-7H2,1H3
InChIKeyGBKMDFRXMWXMOB-UHFFFAOYSA-N
MW319.71 g/mol
LogP4.05
Rot. Bonds4

About 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol

2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol (PubChem CID 45119615) has the molecular formula C14H13ClF3NO2 and a molecular weight of 319.71 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol
PubChem CID45119615
Molecular FormulaC14H13ClF3NO2
Molecular Weight319.71 g/mol
Exact Mass319.06
IUPAC Name2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1oc(-c2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H13ClF3NO2/c1-19(6-7-20)13-11(14(16,17)18)8-12(21-13)9-2-4-10(15)5-3-9/h2-5,8,20H,6-7H2,1H3
InChIKeyGBKMDFRXMWXMOB-UHFFFAOYSA-N
XLogP4.05
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol (CID 45119615) is 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol is CN(CCO)c1oc(-c2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol?
The InChIKey is GBKMDFRXMWXMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO2/c1-19(6-7-20)13-11(14(16,17)18)8-12(21-13)9-2-4-10(15)5-3-9/h2-5,8,20H,6-7H2,1H3.
What are the key properties of 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol?
2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol has a molecular weight of 319.71 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-3-(trifluoromethyl)furan-2-yl]-methylamino]ethanol is sourced from PubChem (CID 45119615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).