2-fluoro-1-phenyl-N-propan-2-ylethanimine

C11H14FN — CID 101419520

IUPAC2-fluoro-1-phenyl-N-propan-2-ylethanimine
SMILESCC(C)/N=C(\CF)c1ccccc1
InChIInChI=1S/C11H14FN/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b13-11+
InChIKeyCNOXTXXYJMGOJL-ACCUITESSA-N
MW179.24 g/mol
LogP2.85
Rot. Bonds3

About 2-fluoro-1-phenyl-N-propan-2-ylethanimine

2-fluoro-1-phenyl-N-propan-2-ylethanimine (PubChem CID 101419520) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-N-propan-2-ylethanimine.

Molecular Properties

Compound Name2-fluoro-1-phenyl-N-propan-2-ylethanimine
PubChem CID101419520
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-fluoro-1-phenyl-N-propan-2-ylethanimine
SMILESCC(C)/N=C(\CF)c1ccccc1
InChIInChI=1S/C11H14FN/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b13-11+
InChIKeyCNOXTXXYJMGOJL-ACCUITESSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.85
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

5-phenyl-5-propan-2-yliminopentan-2-one
CID 10376064
N-propan-2-ylbenzenecarboximidoyl chloride
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2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
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1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine
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2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
CID 142227813
(1,1,4-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 175518211
2-fluoroacetic acid;1-phenylethanone
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(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
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N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-N-propan-2-ylethanimine?
The IUPAC name of 2-fluoro-1-phenyl-N-propan-2-ylethanimine (CID 101419520) is 2-fluoro-1-phenyl-N-propan-2-ylethanimine.
What is the SMILES notation for 2-fluoro-1-phenyl-N-propan-2-ylethanimine?
The canonical SMILES for 2-fluoro-1-phenyl-N-propan-2-ylethanimine is CC(C)/N=C(\CF)c1ccccc1.
What is the InChIKey of 2-fluoro-1-phenyl-N-propan-2-ylethanimine?
The InChIKey is CNOXTXXYJMGOJL-ACCUITESSA-N. The full InChI is InChI=1S/C11H14FN/c1-9(2)13-11(8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/b13-11+.
What are the key properties of 2-fluoro-1-phenyl-N-propan-2-ylethanimine?
2-fluoro-1-phenyl-N-propan-2-ylethanimine has a molecular weight of 179.24 g/mol, XLogP of 2.85, 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-ylethanimine is sourced from PubChem (CID 101419520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).