N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline

C16H23F4N — CID 63462426

IUPACN-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESCC(C)CC(CC(C)C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H23F4N/c1-10(2)7-13(8-11(3)4)21-15-9-12(16(18,19)20)5-6-14(15)17/h5-6,9-11,13,21H,7-8H2,1-4H3
InChIKeyNBCGKSJTWBNDCF-UHFFFAOYSA-N
MW305.36 g/mol
LogP5.72
Rot. Bonds6

About N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline

N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline (PubChem CID 63462426) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
PubChem CID63462426
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC NameN-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
SMILESCC(C)CC(CC(C)C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H23F4N/c1-10(2)7-13(8-11(3)4)21-15-9-12(16(18,19)20)5-6-14(15)17/h5-6,9-11,13,21H,7-8H2,1-4H3
InChIKeyNBCGKSJTWBNDCF-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.36
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 55144774
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline
CID 55193729
2-N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylpentane-1,2-diamine
CID 115511911
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
2-methyl-N-(5-methylheptan-3-yl)-5-(trifluoromethyl)aniline
CID 66478749
3-chloro-N-(2,6-dimethylheptan-4-yl)-5-(trifluoromethyl)aniline
CID 116698994
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
N-(2,6-dimethylheptan-4-yl)-2-fluoro-4-methylaniline
CID 28890755

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline?
The IUPAC name of N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline (CID 63462426) is N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline is CC(C)CC(CC(C)C)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline?
The InChIKey is NBCGKSJTWBNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c1-10(2)7-13(8-11(3)4)21-15-9-12(16(18,19)20)5-6-14(15)17/h5-6,9-11,13,21H,7-8H2,1-4H3.
What are the key properties of N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline?
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline has a molecular weight of 305.36 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63462426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).