2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine

C12H16FN — CID 12869998

IUPAC2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C(/c1ccccc1)C(C)F
InChIInChI=1S/C12H16FN/c1-9(2)14-12(10(3)13)11-7-5-4-6-8-11/h4-10H,1-3H3/b14-12+
InChIKeyQWFWUGQLUTZYIJ-WYMLVPIESA-N
MW193.27 g/mol
LogP3.24
Rot. Bonds3

About 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine

2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine (PubChem CID 12869998) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Name2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
PubChem CID12869998
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C(/c1ccccc1)C(C)F
InChIInChI=1S/C12H16FN/c1-9(2)14-12(10(3)13)11-7-5-4-6-8-11/h4-10H,1-3H3/b14-12+
InChIKeyQWFWUGQLUTZYIJ-WYMLVPIESA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-Methyl-N-(phenylmethylene)-2-propanamine
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CID 98291
Acetophenone, dimethylhydrazone
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The IUPAC name of 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine (CID 12869998) is 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine is CC(C)/N=C(/c1ccccc1)C(C)F.
What is the InChIKey of 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The InChIKey is QWFWUGQLUTZYIJ-WYMLVPIESA-N. The full InChI is InChI=1S/C12H16FN/c1-9(2)14-12(10(3)13)11-7-5-4-6-8-11/h4-10H,1-3H3/b14-12+.
What are the key properties of 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine has a molecular weight of 193.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 12869998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).