2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline

C15H12F5N — CID 107643680

IUPAC2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(F)c(F)cc(F)c2F)cc1F
InChIInChI=1S/C15H12F5N/c1-7-3-4-9(5-10(7)16)8(2)21-15-13(19)11(17)6-12(18)14(15)20/h3-6,8,21H,1-2H3
InChIKeyDLOVHLSTGVTLLF-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.86
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline

2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline (PubChem CID 107643680) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
PubChem CID107643680
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(F)c(F)cc(F)c2F)cc1F
InChIInChI=1S/C15H12F5N/c1-7-3-4-9(5-10(7)16)8(2)21-15-13(19)11(17)6-12(18)14(15)20/h3-6,8,21H,1-2H3
InChIKeyDLOVHLSTGVTLLF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461
2-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-nitroaniline
CID 81306227
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
3-bromo-4-[1-(3-fluoro-4-methylphenyl)ethylamino]benzoic acid
CID 82787749
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
4-bromo-N-[1-(3,4-difluorophenyl)ethyl]-2,6-dimethylaniline
CID 63448815
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80852541
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83057829
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline (CID 107643680) is 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2c(F)c(F)cc(F)c2F)cc1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
The InChIKey is DLOVHLSTGVTLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c1-7-3-4-9(5-10(7)16)8(2)21-15-13(19)11(17)6-12(18)14(15)20/h3-6,8,21H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline?
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline has a molecular weight of 301.26 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 107643680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).