4-(N-fluoro-4-hexylanilino)butanal

C16H24FNO — CID 139420893

IUPAC4-(N-fluoro-4-hexylanilino)butanal
SMILESCCCCCCc1ccc(N(F)CCCC=O)cc1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-8-15-9-11-16(12-10-15)18(17)13-6-7-14-19/h9-12,14H,2-8,13H2,1H3
InChIKeyUDHPOSPXTNZXSZ-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.48
Rot. Bonds10

About 4-(N-fluoro-4-hexylanilino)butanal

4-(N-fluoro-4-hexylanilino)butanal (PubChem CID 139420893) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-(N-fluoro-4-hexylanilino)butanal.

Molecular Properties

Compound Name4-(N-fluoro-4-hexylanilino)butanal
PubChem CID139420893
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-(N-fluoro-4-hexylanilino)butanal
SMILESCCCCCCc1ccc(N(F)CCCC=O)cc1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-8-15-9-11-16(12-10-15)18(17)13-6-7-14-19/h9-12,14H,2-8,13H2,1H3
InChIKeyUDHPOSPXTNZXSZ-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(N-fluoro-4-hexylanilino)butanal?
The IUPAC name of 4-(N-fluoro-4-hexylanilino)butanal (CID 139420893) is 4-(N-fluoro-4-hexylanilino)butanal.
What is the SMILES notation for 4-(N-fluoro-4-hexylanilino)butanal?
The canonical SMILES for 4-(N-fluoro-4-hexylanilino)butanal is CCCCCCc1ccc(N(F)CCCC=O)cc1.
What is the InChIKey of 4-(N-fluoro-4-hexylanilino)butanal?
The InChIKey is UDHPOSPXTNZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-3-4-5-8-15-9-11-16(12-10-15)18(17)13-6-7-14-19/h9-12,14H,2-8,13H2,1H3.
What are the key properties of 4-(N-fluoro-4-hexylanilino)butanal?
4-(N-fluoro-4-hexylanilino)butanal has a molecular weight of 265.37 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-fluoro-4-hexylanilino)butanal is sourced from PubChem (CID 139420893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).