acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde

C17H16FNO2 — CID 145351672

IUPACacetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
SMILESC#C.C=O.COc1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO.C2H2.CH2O/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13;2*1-2/h2-10H,1H3;1-2H;1H2/b16-10+;;
InChIKeyYABXGIXRDBGBBO-CNSDMJOKSA-N
MW285.32 g/mol
LogP3.65
Rot. Bonds3

About acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde

acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde (PubChem CID 145351672) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde.

Molecular Properties

Compound Nameacetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
PubChem CID145351672
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Nameacetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
SMILESC#C.C=O.COc1ccc(/C=N/c2ccc(F)cc2)cc1
InChIInChI=1S/C14H12FNO.C2H2.CH2O/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13;2*1-2/h2-10H,1H3;1-2H;1H2/b16-10+;;
InChIKeyYABXGIXRDBGBBO-CNSDMJOKSA-N
XLogP3.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
N-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 693625
[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol
CID 86729004
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
1-(4-methoxyphenyl)-N-(4-propoxyphenyl)methanimine
CID 71354195
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
(NE)-N-[1-[4-[(4-methoxyphenyl)methylideneamino]phenyl]ethylidene]hydroxylamine
CID 134612915
methyl 2-[4-[(4-methoxyphenyl)iminomethyl]phenoxy]acetate
CID 94832083
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde?
The IUPAC name of acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde (CID 145351672) is acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde.
What is the SMILES notation for acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde?
The canonical SMILES for acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde is C#C.C=O.COc1ccc(/C=N/c2ccc(F)cc2)cc1.
What is the InChIKey of acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde?
The InChIKey is YABXGIXRDBGBBO-CNSDMJOKSA-N. The full InChI is InChI=1S/C14H12FNO.C2H2.CH2O/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13;2*1-2/h2-10H,1H3;1-2H;1H2/b16-10+;;.
What are the key properties of acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde?
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde has a molecular weight of 285.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde is sourced from PubChem (CID 145351672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).