2-(4-fluorooctyl)-N,N-dimethylaniline

C16H26FN — CID 70020321

IUPAC2-(4-fluorooctyl)-N,N-dimethylaniline
SMILESCCCCC(F)CCCc1ccccc1N(C)C
InChIInChI=1S/C16H26FN/c1-4-5-11-15(17)12-8-10-14-9-6-7-13-16(14)18(2)3/h6-7,9,13,15H,4-5,8,10-12H2,1-3H3
InChIKeyKZJORVDHQXWIGI-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.60
Rot. Bonds8

About 2-(4-fluorooctyl)-N,N-dimethylaniline

2-(4-fluorooctyl)-N,N-dimethylaniline (PubChem CID 70020321) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(4-fluorooctyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(4-fluorooctyl)-N,N-dimethylaniline
PubChem CID70020321
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-(4-fluorooctyl)-N,N-dimethylaniline
SMILESCCCCC(F)CCCc1ccccc1N(C)C
InChIInChI=1S/C16H26FN/c1-4-5-11-15(17)12-8-10-14-9-6-7-13-16(14)18(2)3/h6-7,9,13,15H,4-5,8,10-12H2,1-3H3
InChIKeyKZJORVDHQXWIGI-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorooctyl)-N,N-dimethylaniline?
The IUPAC name of 2-(4-fluorooctyl)-N,N-dimethylaniline (CID 70020321) is 2-(4-fluorooctyl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(4-fluorooctyl)-N,N-dimethylaniline?
The canonical SMILES for 2-(4-fluorooctyl)-N,N-dimethylaniline is CCCCC(F)CCCc1ccccc1N(C)C.
What is the InChIKey of 2-(4-fluorooctyl)-N,N-dimethylaniline?
The InChIKey is KZJORVDHQXWIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-5-11-15(17)12-8-10-14-9-6-7-13-16(14)18(2)3/h6-7,9,13,15H,4-5,8,10-12H2,1-3H3.
What are the key properties of 2-(4-fluorooctyl)-N,N-dimethylaniline?
2-(4-fluorooctyl)-N,N-dimethylaniline has a molecular weight of 251.39 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorooctyl)-N,N-dimethylaniline is sourced from PubChem (CID 70020321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).