4-fluoro-N,N-dioctylaniline

C22H38FN — CID 91747748

IUPAC4-fluoro-N,N-dioctylaniline
SMILESCCCCCCCCN(CCCCCCCC)c1ccc(F)cc1
InChIInChI=1S/C22H38FN/c1-3-5-7-9-11-13-19-24(20-14-12-10-8-6-4-2)22-17-15-21(23)16-18-22/h15-18H,3-14,19-20H2,1-2H3
InChIKeyLFDBRBVDBWHNFW-UHFFFAOYSA-N
MW335.55 g/mol
LogP7.35
Rot. Bonds15

About 4-fluoro-N,N-dioctylaniline

4-fluoro-N,N-dioctylaniline (PubChem CID 91747748) has the molecular formula C22H38FN and a molecular weight of 335.55 g/mol. Its IUPAC name is 4-fluoro-N,N-dioctylaniline.

Molecular Properties

Compound Name4-fluoro-N,N-dioctylaniline
PubChem CID91747748
Molecular FormulaC22H38FN
Molecular Weight335.55 g/mol
Exact Mass335.30
IUPAC Name4-fluoro-N,N-dioctylaniline
SMILESCCCCCCCCN(CCCCCCCC)c1ccc(F)cc1
InChIInChI=1S/C22H38FN/c1-3-5-7-9-11-13-19-24(20-14-12-10-8-6-4-2)22-17-15-21(23)16-18-22/h15-18H,3-14,19-20H2,1-2H3
InChIKeyLFDBRBVDBWHNFW-UHFFFAOYSA-N
XLogP7.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-4-fluoroaniline
CID 15399711
N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
N,N-diheptyl-4-methylaniline
CID 20558578
2-(4-fluoro-N-pentylanilino)acetamide
CID 57125952
4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-[nonyl(pentyl)amino]phenol
CID 174874757
bis(4-N-[4-[4-(dioctylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-4-N-[4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine);fluoroboronic acid
CID 173423264
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dioctylaniline?
The IUPAC name of 4-fluoro-N,N-dioctylaniline (CID 91747748) is 4-fluoro-N,N-dioctylaniline.
What is the SMILES notation for 4-fluoro-N,N-dioctylaniline?
The canonical SMILES for 4-fluoro-N,N-dioctylaniline is CCCCCCCCN(CCCCCCCC)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N,N-dioctylaniline?
The InChIKey is LFDBRBVDBWHNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38FN/c1-3-5-7-9-11-13-19-24(20-14-12-10-8-6-4-2)22-17-15-21(23)16-18-22/h15-18H,3-14,19-20H2,1-2H3.
What are the key properties of 4-fluoro-N,N-dioctylaniline?
4-fluoro-N,N-dioctylaniline has a molecular weight of 335.55 g/mol, XLogP of 7.35, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dioctylaniline is sourced from PubChem (CID 91747748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).