4-fluoro-2-octoxyaniline

C14H22FNO — CID 43128998

IUPAC4-fluoro-2-octoxyaniline
SMILESCCCCCCCCOc1cc(F)ccc1N
InChIInChI=1S/C14H22FNO/c1-2-3-4-5-6-7-10-17-14-11-12(15)8-9-13(14)16/h8-9,11H,2-7,10,16H2,1H3
InChIKeyCJTPDGHLBZONDM-UHFFFAOYSA-N
MW239.33 g/mol
LogP4.15
Rot. Bonds8

About 4-fluoro-2-octoxyaniline

4-fluoro-2-octoxyaniline (PubChem CID 43128998) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-fluoro-2-octoxyaniline.

Molecular Properties

Compound Name4-fluoro-2-octoxyaniline
PubChem CID43128998
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-fluoro-2-octoxyaniline
SMILESCCCCCCCCOc1cc(F)ccc1N
InChIInChI=1S/C14H22FNO/c1-2-3-4-5-6-7-10-17-14-11-12(15)8-9-13(14)16/h8-9,11H,2-7,10,16H2,1H3
InChIKeyCJTPDGHLBZONDM-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 54.15
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

1,4-difluoro-2-hexoxybenzene
CID 23437312
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
2-octoxyaniline
CID 14747235
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
4-octoxy-2-propoxyaniline
CID 63676334
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
4-fluoro-2-(octoxymethyl)aniline
CID 43382254
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
5-fluoro-2-(hexoxymethyl)aniline
CID 64768637
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-octoxyaniline?
The IUPAC name of 4-fluoro-2-octoxyaniline (CID 43128998) is 4-fluoro-2-octoxyaniline.
What is the SMILES notation for 4-fluoro-2-octoxyaniline?
The canonical SMILES for 4-fluoro-2-octoxyaniline is CCCCCCCCOc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-octoxyaniline?
The InChIKey is CJTPDGHLBZONDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-2-3-4-5-6-7-10-17-14-11-12(15)8-9-13(14)16/h8-9,11H,2-7,10,16H2,1H3.
What are the key properties of 4-fluoro-2-octoxyaniline?
4-fluoro-2-octoxyaniline has a molecular weight of 239.33 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-octoxyaniline is sourced from PubChem (CID 43128998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).