N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide

C25H22FNO — CID 71474631

IUPACN-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide
SMILESCCCC/C=C(\c1ccc(F)cc1)[N+]([O-])=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO/c1-2-3-4-13-24(18-14-16-19(26)17-15-18)27(28)25-22-11-7-5-9-20(22)21-10-6-8-12-23(21)25/h5-17H,2-4H2,1H3/b24-13+
InChIKeyLYHOBONKYPYXQQ-ZMOGYAJESA-N
MW371.46 g/mol
LogP6.39
Rot. Bonds5

About N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide

N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide (PubChem CID 71474631) has the molecular formula C25H22FNO and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide.

Molecular Properties

Compound NameN-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide
PubChem CID71474631
Molecular FormulaC25H22FNO
Molecular Weight371.46 g/mol
Exact Mass371.17
IUPAC NameN-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide
SMILESCCCC/C=C(\c1ccc(F)cc1)[N+]([O-])=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22FNO/c1-2-3-4-13-24(18-14-16-19(26)17-15-18)27(28)25-22-11-7-5-9-20(22)21-10-6-8-12-23(21)25/h5-17H,2-4H2,1H3/b24-13+
InChIKeyLYHOBONKYPYXQQ-ZMOGYAJESA-N
XLogP6.39
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)fluoren-9-imine oxide
CID 623544
CID 177400217
CID 177400217
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917
1-chloro-4-[(E)-1-phenylselanylhex-1-enyl]benzene
CID 11337041
fluorobenzene;hexane
CID 158112243
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
[(Z)-1-nitrohex-1-enyl]sulfanylbenzene
CID 14006135
oxido-oxo-(1-phenylhex-1-enyl)phosphanium
CID 154192671
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
4-[(E)-3-methylnon-4-en-4-yl]benzoic acid
CID 126481676
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide?
The IUPAC name of N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide (CID 71474631) is N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide.
What is the SMILES notation for N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide?
The canonical SMILES for N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide is CCCC/C=C(\c1ccc(F)cc1)[N+]([O-])=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide?
The InChIKey is LYHOBONKYPYXQQ-ZMOGYAJESA-N. The full InChI is InChI=1S/C25H22FNO/c1-2-3-4-13-24(18-14-16-19(26)17-15-18)27(28)25-22-11-7-5-9-20(22)21-10-6-8-12-23(21)25/h5-17H,2-4H2,1H3/b24-13+.
What are the key properties of N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide?
N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide has a molecular weight of 371.46 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-fluorophenyl)hex-1-enyl]fluoren-9-imine oxide is sourced from PubChem (CID 71474631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).