4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol

C14H13ClF3NO2 — CID 54201505

IUPAC4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol
SMILESCCc1oc(NC)c(-c2cc(Cl)cc(C(F)(F)F)c2)c1O
InChIInChI=1S/C14H13ClF3NO2/c1-3-10-12(20)11(13(19-2)21-10)7-4-8(14(16,17)18)6-9(15)5-7/h4-6,19-20H,3H2,1-2H3
InChIKeyPPOPILVWQVZRAR-UHFFFAOYSA-N
MW319.71 g/mol
LogP4.93
Rot. Bonds3

About 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol

4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol (PubChem CID 54201505) has the molecular formula C14H13ClF3NO2 and a molecular weight of 319.71 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol
PubChem CID54201505
Molecular FormulaC14H13ClF3NO2
Molecular Weight319.71 g/mol
Exact Mass319.06
IUPAC Name4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol
SMILESCCc1oc(NC)c(-c2cc(Cl)cc(C(F)(F)F)c2)c1O
InChIInChI=1S/C14H13ClF3NO2/c1-3-10-12(20)11(13(19-2)21-10)7-4-8(14(16,17)18)6-9(15)5-7/h4-6,19-20H,3H2,1-2H3
InChIKeyPPOPILVWQVZRAR-UHFFFAOYSA-N
XLogP4.93
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol (CID 54201505) is 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol is CCc1oc(NC)c(-c2cc(Cl)cc(C(F)(F)F)c2)c1O.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol?
The InChIKey is PPOPILVWQVZRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO2/c1-3-10-12(20)11(13(19-2)21-10)7-4-8(14(16,17)18)6-9(15)5-7/h4-6,19-20H,3H2,1-2H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol?
4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol has a molecular weight of 319.71 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)phenyl]-2-ethyl-5-(methylamino)furan-3-ol is sourced from PubChem (CID 54201505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).