N-(4-fluorophenyl)-1-(furan-2-yl)methanimine

C11H8FNO — CID 961517

IUPACN-(4-fluorophenyl)-1-(furan-2-yl)methanimine
SMILESFc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H/b13-8+
InChIKeyVBDKWOFAAZNWMD-MDWZMJQESA-N
MW189.19 g/mol
LogP3.17
Rot. Bonds2

About N-(4-fluorophenyl)-1-(furan-2-yl)methanimine

N-(4-fluorophenyl)-1-(furan-2-yl)methanimine (PubChem CID 961517) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(furan-2-yl)methanimine
PubChem CID961517
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC NameN-(4-fluorophenyl)-1-(furan-2-yl)methanimine
SMILESFc1ccc(/N=C/c2ccco2)cc1
InChIInChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H/b13-8+
InChIKeyVBDKWOFAAZNWMD-MDWZMJQESA-N
XLogP3.17
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Furfurylidene)-P-anisidine
CID 778756
N-Furfurylidene-M-toluidine
CID 5046711
4-(furan-2-ylmethylideneamino)-N,N-dimethylaniline
CID 781698
N,N-dimethyl-4-[(5-methylfuran-2-yl)methylideneamino]aniline
CID 781700
1-(furan-2-yl)-N-(4-methoxyphenyl)methanimine oxide
CID 11183543
3-Fluoro-4-(furan-2-ylmethylideneamino)benzenesulfonamide
CID 118716953
4,4,4-Trifluoro-2-{[(4-fluorophenyl)amino]methylene}-1-(2-furyl)butane-1,3-dio ne
CID 135517187
N-(4-chlorophenyl)-1-(furan-2-yl)methanimine oxide
CID 886509
4-((1E)-2-(2-furyl)-1-azavinyl)phenol
CID 674723
Furfural phenylhydrazone
CID 6436740
p-Phenylenediamine, N,N'-difurfurylidene-
CID 99740
1-(furan-2-yl)-N-phenylmethanimine oxide
CID 1585019

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(furan-2-yl)methanimine?
The IUPAC name of N-(4-fluorophenyl)-1-(furan-2-yl)methanimine (CID 961517) is N-(4-fluorophenyl)-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(furan-2-yl)methanimine?
The canonical SMILES for N-(4-fluorophenyl)-1-(furan-2-yl)methanimine is Fc1ccc(/N=C/c2ccco2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(furan-2-yl)methanimine?
The InChIKey is VBDKWOFAAZNWMD-MDWZMJQESA-N. The full InChI is InChI=1S/C11H8FNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-8H/b13-8+.
What are the key properties of N-(4-fluorophenyl)-1-(furan-2-yl)methanimine?
N-(4-fluorophenyl)-1-(furan-2-yl)methanimine has a molecular weight of 189.19 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(furan-2-yl)methanimine is sourced from PubChem (CID 961517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).