(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine

C16H14ClF3N2O2 — CID 9216842

IUPAC(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine
SMILESFC(F)(F)c1cc(-c2ccc(/C=N\N3CCOCC3)o2)ccc1Cl
InChIInChI=1S/C16H14ClF3N2O2/c17-14-3-1-11(9-13(14)16(18,19)20)15-4-2-12(24-15)10-21-22-5-7-23-8-6-22/h1-4,9-10H,5-8H2/b21-10-
InChIKeyGXAAKEOTHLMVEP-FBHDLOMBSA-N
MW358.75 g/mol
LogP4.28
Rot. Bonds3

About (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine

(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine (PubChem CID 9216842) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine
PubChem CID9216842
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC Name(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine
SMILESFC(F)(F)c1cc(-c2ccc(/C=N\N3CCOCC3)o2)ccc1Cl
InChIInChI=1S/C16H14ClF3N2O2/c17-14-3-1-11(9-13(14)16(18,19)20)15-4-2-12(24-15)10-21-22-5-7-23-8-6-22/h1-4,9-10H,5-8H2/b21-10-
InChIKeyGXAAKEOTHLMVEP-FBHDLOMBSA-N
XLogP4.28
TPSA37.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine (CID 9216842) is (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine is FC(F)(F)c1cc(-c2ccc(/C=N\N3CCOCC3)o2)ccc1Cl.
What is the InChIKey of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is GXAAKEOTHLMVEP-FBHDLOMBSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-14-3-1-11(9-13(14)16(18,19)20)15-4-2-12(24-15)10-21-22-5-7-23-8-6-22/h1-4,9-10H,5-8H2/b21-10-.
What are the key properties of (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine?
(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 358.75 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 9216842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).