4-dodecoxy-3-fluoroaniline

C18H30FNO — CID 63404209

IUPAC4-dodecoxy-3-fluoroaniline
SMILESCCCCCCCCCCCCOc1ccc(N)cc1F
InChIInChI=1S/C18H30FNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(20)15-17(18)19/h12-13,15H,2-11,14,20H2,1H3
InChIKeyYGZQKHLVJRNJPX-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.71
Rot. Bonds12

About 4-dodecoxy-3-fluoroaniline

4-dodecoxy-3-fluoroaniline (PubChem CID 63404209) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 4-dodecoxy-3-fluoroaniline.

Molecular Properties

Compound Name4-dodecoxy-3-fluoroaniline
PubChem CID63404209
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name4-dodecoxy-3-fluoroaniline
SMILESCCCCCCCCCCCCOc1ccc(N)cc1F
InChIInChI=1S/C18H30FNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(20)15-17(18)19/h12-13,15H,2-11,14,20H2,1H3
InChIKeyYGZQKHLVJRNJPX-UHFFFAOYSA-N
XLogP5.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-hexoxy-4-iodoaniline
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2-fluoro-1-hexadecoxy-4-(methoxymethyl)benzene
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CID 57052705
3-fluoro-4-nonoxybenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-dodecoxy-3-fluoroaniline?
The IUPAC name of 4-dodecoxy-3-fluoroaniline (CID 63404209) is 4-dodecoxy-3-fluoroaniline.
What is the SMILES notation for 4-dodecoxy-3-fluoroaniline?
The canonical SMILES for 4-dodecoxy-3-fluoroaniline is CCCCCCCCCCCCOc1ccc(N)cc1F.
What is the InChIKey of 4-dodecoxy-3-fluoroaniline?
The InChIKey is YGZQKHLVJRNJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(20)15-17(18)19/h12-13,15H,2-11,14,20H2,1H3.
What are the key properties of 4-dodecoxy-3-fluoroaniline?
4-dodecoxy-3-fluoroaniline has a molecular weight of 295.44 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxy-3-fluoroaniline is sourced from PubChem (CID 63404209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).