N-decyl-2-fluoro-3-(trifluoromethyl)aniline

C17H25F4N — CID 151081147

IUPACN-decyl-2-fluoro-3-(trifluoromethyl)aniline
SMILESCCCCCCCCCCNc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H25F4N/c1-2-3-4-5-6-7-8-9-13-22-15-12-10-11-14(16(15)18)17(19,20)21/h10-12,22H,2-9,13H2,1H3
InChIKeyMKDMUMXTMUWPPI-UHFFFAOYSA-N
MW319.39 g/mol
LogP6.40
Rot. Bonds10

About N-decyl-2-fluoro-3-(trifluoromethyl)aniline

N-decyl-2-fluoro-3-(trifluoromethyl)aniline (PubChem CID 151081147) has the molecular formula C17H25F4N and a molecular weight of 319.39 g/mol. Its IUPAC name is N-decyl-2-fluoro-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-decyl-2-fluoro-3-(trifluoromethyl)aniline
PubChem CID151081147
Molecular FormulaC17H25F4N
Molecular Weight319.39 g/mol
Exact Mass319.19
IUPAC NameN-decyl-2-fluoro-3-(trifluoromethyl)aniline
SMILESCCCCCCCCCCNc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C17H25F4N/c1-2-3-4-5-6-7-8-9-13-22-15-12-10-11-14(16(15)18)17(19,20)21/h10-12,22H,2-9,13H2,1H3
InChIKeyMKDMUMXTMUWPPI-UHFFFAOYSA-N
XLogP6.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 56.40
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-2-fluoro-N-octylaniline
CID 43129398
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
[2-fluoro-3-(trifluoromethyl)anilino]methanol
CID 143384342
3-fluoro-2-methyl-N-octylaniline
CID 55191614
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
N-(3-propoxypropyl)-2-(trifluoromethyl)aniline
CID 82944074
N-(6-chlorohexyl)-2-(trifluoromethyl)aniline
CID 107846141
N-(5-chloropentyl)-2-(trifluoromethyl)aniline
CID 107320506
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
N-heptyl-2-methylsulfanylaniline
CID 43683418

Frequently Asked Questions

What is the IUPAC name of N-decyl-2-fluoro-3-(trifluoromethyl)aniline?
The IUPAC name of N-decyl-2-fluoro-3-(trifluoromethyl)aniline (CID 151081147) is N-decyl-2-fluoro-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-decyl-2-fluoro-3-(trifluoromethyl)aniline?
The canonical SMILES for N-decyl-2-fluoro-3-(trifluoromethyl)aniline is CCCCCCCCCCNc1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-decyl-2-fluoro-3-(trifluoromethyl)aniline?
The InChIKey is MKDMUMXTMUWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F4N/c1-2-3-4-5-6-7-8-9-13-22-15-12-10-11-14(16(15)18)17(19,20)21/h10-12,22H,2-9,13H2,1H3.
What are the key properties of N-decyl-2-fluoro-3-(trifluoromethyl)aniline?
N-decyl-2-fluoro-3-(trifluoromethyl)aniline has a molecular weight of 319.39 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2-fluoro-3-(trifluoromethyl)aniline is sourced from PubChem (CID 151081147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).