3-chloro-N-decyl-5-fluoroaniline

C16H25ClFN — CID 107365499

IUPAC3-chloro-N-decyl-5-fluoroaniline
SMILESCCCCCCCCCCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H25ClFN/c1-2-3-4-5-6-7-8-9-10-19-16-12-14(17)11-15(18)13-16/h11-13,19H,2-10H2,1H3
InChIKeyAWCWBZJAMMCVOD-UHFFFAOYSA-N
MW285.83 g/mol
LogP6.03
Rot. Bonds10

About 3-chloro-N-decyl-5-fluoroaniline

3-chloro-N-decyl-5-fluoroaniline (PubChem CID 107365499) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 3-chloro-N-decyl-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-decyl-5-fluoroaniline
PubChem CID107365499
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name3-chloro-N-decyl-5-fluoroaniline
SMILESCCCCCCCCCCNc1cc(F)cc(Cl)c1
InChIInChI=1S/C16H25ClFN/c1-2-3-4-5-6-7-8-9-10-19-16-12-14(17)11-15(18)13-16/h11-13,19H,2-10H2,1H3
InChIKeyAWCWBZJAMMCVOD-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.83
LogP ≤ 56.03
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

3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
2-(3-chloro-5-fluoroanilino)-N-propylacetamide
CID 103773177
4-fluoro-N-heptylaniline
CID 43129312
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
5-(3,5-dichloroanilino)pentan-1-ol
CID 62227515
3-(3-chloro-5-fluoroanilino)-N-ethylpropanamide
CID 107365336
2,6-dimethyl-N-pentadecylpyridin-4-amine
CID 173439602
ethyl 3-(3-chloro-5-fluoroanilino)propanoate
CID 107364886
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
2,5-difluoro-N-hexylaniline
CID 28877091
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-decyl-5-fluoroaniline?
The IUPAC name of 3-chloro-N-decyl-5-fluoroaniline (CID 107365499) is 3-chloro-N-decyl-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-decyl-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-decyl-5-fluoroaniline is CCCCCCCCCCNc1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-N-decyl-5-fluoroaniline?
The InChIKey is AWCWBZJAMMCVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-2-3-4-5-6-7-8-9-10-19-16-12-14(17)11-15(18)13-16/h11-13,19H,2-10H2,1H3.
What are the key properties of 3-chloro-N-decyl-5-fluoroaniline?
3-chloro-N-decyl-5-fluoroaniline has a molecular weight of 285.83 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-decyl-5-fluoroaniline is sourced from PubChem (CID 107365499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).