4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol

C18H11ClF3NO2 — CID 68777823

IUPAC4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H11ClF3NO2/c19-11-5-7-16(24)15(9-11)23-10-12-6-8-17(25-12)13-3-1-2-4-14(13)18(20,21)22/h1-10,24H/b23-10+
InChIKeyVBLNYGWSMRDGMJ-AUEPDCJTSA-N
MW365.74 g/mol
LogP6.07
Rot. Bonds3

About 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol

4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol (PubChem CID 68777823) has the molecular formula C18H11ClF3NO2 and a molecular weight of 365.74 g/mol. Its IUPAC name is 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol
PubChem CID68777823
Molecular FormulaC18H11ClF3NO2
Molecular Weight365.74 g/mol
Exact Mass365.04
IUPAC Name4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol
SMILESOc1ccc(Cl)cc1/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H11ClF3NO2/c19-11-5-7-16(24)15(9-11)23-10-12-6-8-17(25-12)13-3-1-2-4-14(13)18(20,21)22/h1-10,24H/b23-10+
InChIKeyVBLNYGWSMRDGMJ-AUEPDCJTSA-N
XLogP6.07
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol?
The IUPAC name of 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol (CID 68777823) is 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol.
What is the SMILES notation for 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol?
The canonical SMILES for 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol is Oc1ccc(Cl)cc1/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol?
The InChIKey is VBLNYGWSMRDGMJ-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H11ClF3NO2/c19-11-5-7-16(24)15(9-11)23-10-12-6-8-17(25-12)13-3-1-2-4-14(13)18(20,21)22/h1-10,24H/b23-10+.
What are the key properties of 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol?
4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol has a molecular weight of 365.74 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]phenol is sourced from PubChem (CID 68777823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).