1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane

C17H20F3NO — CID 143076602

IUPAC1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane
SMILESC/C(=N\[C@@H](c1ccco1)C(F)(F)F)c1ccccc1.CCC
InChIInChI=1S/C14H12F3NO.C3H8/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12;1-3-2/h2-9,13H,1H3;3H2,1-2H3/b18-10+;/t13-;/m0./s1
InChIKeyCPRVNFPVXSKKFL-BXNHVGFHSA-N
MW311.35 g/mol
LogP5.81
Rot. Bonds3

About 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane

1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane (PubChem CID 143076602) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane
PubChem CID143076602
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane
SMILESC/C(=N\[C@@H](c1ccco1)C(F)(F)F)c1ccccc1.CCC
InChIInChI=1S/C14H12F3NO.C3H8/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12;1-3-2/h2-9,13H,1H3;3H2,1-2H3/b18-10+;/t13-;/m0./s1
InChIKeyCPRVNFPVXSKKFL-BXNHVGFHSA-N
XLogP5.81
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane?
The IUPAC name of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane (CID 143076602) is 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane.
What is the SMILES notation for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane?
The canonical SMILES for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane is C/C(=N\[C@@H](c1ccco1)C(F)(F)F)c1ccccc1.CCC.
What is the InChIKey of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane?
The InChIKey is CPRVNFPVXSKKFL-BXNHVGFHSA-N. The full InChI is InChI=1S/C14H12F3NO.C3H8/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12;1-3-2/h2-9,13H,1H3;3H2,1-2H3/b18-10+;/t13-;/m0./s1.
What are the key properties of 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane?
1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane has a molecular weight of 311.35 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]ethanimine;propane is sourced from PubChem (CID 143076602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).