4-chloro-2-fluoro-N-heptylaniline

C13H19ClFN — CID 43716552

IUPAC4-chloro-2-fluoro-N-heptylaniline
SMILESCCCCCCCNc1ccc(Cl)cc1F
InChIInChI=1S/C13H19ClFN/c1-2-3-4-5-6-9-16-13-8-7-11(14)10-12(13)15/h7-8,10,16H,2-6,9H2,1H3
InChIKeyRVEZDIBLTYPMDM-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.86
Rot. Bonds7

About 4-chloro-2-fluoro-N-heptylaniline

4-chloro-2-fluoro-N-heptylaniline (PubChem CID 43716552) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-heptylaniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-heptylaniline
PubChem CID43716552
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name4-chloro-2-fluoro-N-heptylaniline
SMILESCCCCCCCNc1ccc(Cl)cc1F
InChIInChI=1S/C13H19ClFN/c1-2-3-4-5-6-9-16-13-8-7-11(14)10-12(13)15/h7-8,10,16H,2-6,9H2,1H3
InChIKeyRVEZDIBLTYPMDM-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-decylaniline
CID 63489638
2,4-difluoro-N-nonylaniline
CID 43129325
4-chloro-N-decyl-2-iodoaniline
CID 107635321
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-bromo-4-chloro-N-decylaniline
CID 81271334
2,5-difluoro-N-hexylaniline
CID 28877091
N'-(4-chloro-2-fluorophenyl)-N-hexyloxamide
CID 47148084
2-chloro-N-decyl-4-methylaniline
CID 63489010
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
2-chloro-4-iodo-N-octylaniline
CID 63445374
4-chloro-2-(decylamino)benzonitrile
CID 64919418
N'-(4-chloro-2-fluorophenyl)-N-pentyloxamide
CID 44999477

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-heptylaniline?
The IUPAC name of 4-chloro-2-fluoro-N-heptylaniline (CID 43716552) is 4-chloro-2-fluoro-N-heptylaniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-heptylaniline?
The canonical SMILES for 4-chloro-2-fluoro-N-heptylaniline is CCCCCCCNc1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-heptylaniline?
The InChIKey is RVEZDIBLTYPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-2-3-4-5-6-9-16-13-8-7-11(14)10-12(13)15/h7-8,10,16H,2-6,9H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-heptylaniline?
4-chloro-2-fluoro-N-heptylaniline has a molecular weight of 243.75 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-heptylaniline is sourced from PubChem (CID 43716552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).