1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine

C11H14FN — CID 89232312

IUPAC1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine
SMILESC/C(CF)=N\[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14FN/c1-9(8-12)13-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3/b13-9+/t10-/m0/s1
InChIKeyJOIVKMIMAPEALA-YWEFTTLKSA-N
MW179.24 g/mol
LogP3.18
Rot. Bonds3

About 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine

1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine (PubChem CID 89232312) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine.

Molecular Properties

Compound Name1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine
PubChem CID89232312
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine
SMILESC/C(CF)=N\[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14FN/c1-9(8-12)13-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3/b13-9+/t10-/m0/s1
InChIKeyJOIVKMIMAPEALA-YWEFTTLKSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine?
The IUPAC name of 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine (CID 89232312) is 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine.
What is the SMILES notation for 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine?
The canonical SMILES for 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine is C/C(CF)=N\[C@@H](C)c1ccccc1.
What is the InChIKey of 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine?
The InChIKey is JOIVKMIMAPEALA-YWEFTTLKSA-N. The full InChI is InChI=1S/C11H14FN/c1-9(8-12)13-10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3/b13-9+/t10-/m0/s1.
What are the key properties of 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine?
1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine has a molecular weight of 179.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[(1S)-1-phenylethyl]propan-2-imine is sourced from PubChem (CID 89232312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).