4-fluoro-2-(10,10,10-trifluorodecyl)aniline

C16H23F4N — CID 152556058

IUPAC4-fluoro-2-(10,10,10-trifluorodecyl)aniline
SMILESNc1ccc(F)cc1CCCCCCCCCC(F)(F)F
InChIInChI=1S/C16H23F4N/c17-14-9-10-15(21)13(12-14)8-6-4-2-1-3-5-7-11-16(18,19)20/h9-10,12H,1-8,11,21H2
InChIKeyYOMVYRWWKNEWGD-UHFFFAOYSA-N
MW305.36 g/mol
LogP5.63
Rot. Bonds9

About 4-fluoro-2-(10,10,10-trifluorodecyl)aniline

4-fluoro-2-(10,10,10-trifluorodecyl)aniline (PubChem CID 152556058) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-fluoro-2-(10,10,10-trifluorodecyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(10,10,10-trifluorodecyl)aniline
PubChem CID152556058
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name4-fluoro-2-(10,10,10-trifluorodecyl)aniline
SMILESNc1ccc(F)cc1CCCCCCCCCC(F)(F)F
InChIInChI=1S/C16H23F4N/c17-14-9-10-15(21)13(12-14)8-6-4-2-1-3-5-7-11-16(18,19)20/h9-10,12H,1-8,11,21H2
InChIKeyYOMVYRWWKNEWGD-UHFFFAOYSA-N
XLogP5.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.36
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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4-fluoro-2-(methoxymethyl)aniline;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(10,10,10-trifluorodecyl)aniline?
The IUPAC name of 4-fluoro-2-(10,10,10-trifluorodecyl)aniline (CID 152556058) is 4-fluoro-2-(10,10,10-trifluorodecyl)aniline.
What is the SMILES notation for 4-fluoro-2-(10,10,10-trifluorodecyl)aniline?
The canonical SMILES for 4-fluoro-2-(10,10,10-trifluorodecyl)aniline is Nc1ccc(F)cc1CCCCCCCCCC(F)(F)F.
What is the InChIKey of 4-fluoro-2-(10,10,10-trifluorodecyl)aniline?
The InChIKey is YOMVYRWWKNEWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c17-14-9-10-15(21)13(12-14)8-6-4-2-1-3-5-7-11-16(18,19)20/h9-10,12H,1-8,11,21H2.
What are the key properties of 4-fluoro-2-(10,10,10-trifluorodecyl)aniline?
4-fluoro-2-(10,10,10-trifluorodecyl)aniline has a molecular weight of 305.36 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(10,10,10-trifluorodecyl)aniline is sourced from PubChem (CID 152556058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).