N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine

C20H20FN — CID 129034287

IUPACN-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine
SMILESC#CC(C)(CCCF)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20FN/c1-3-20(2,15-10-16-21)22-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h1,4-9,11-14H,10,15-16H2,2H3
InChIKeyRSJUZNISSOLELA-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.67
Rot. Bonds6

About N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine

N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine (PubChem CID 129034287) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine
PubChem CID129034287
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC NameN-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine
SMILESC#CC(C)(CCCF)N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20FN/c1-3-20(2,15-10-16-21)22-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h1,4-9,11-14H,10,15-16H2,2H3
InChIKeyRSJUZNISSOLELA-UHFFFAOYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine?
The IUPAC name of N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine (CID 129034287) is N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine.
What is the SMILES notation for N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine?
The canonical SMILES for N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine is C#CC(C)(CCCF)N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine?
The InChIKey is RSJUZNISSOLELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c1-3-20(2,15-10-16-21)22-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h1,4-9,11-14H,10,15-16H2,2H3.
What are the key properties of N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine?
N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine has a molecular weight of 293.39 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-methylhex-1-yn-3-yl)-1,1-diphenylmethanimine is sourced from PubChem (CID 129034287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).