N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline

C13H8F5N — CID 55118690

IUPACN-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
SMILESFc1ccc(CNc2cc(F)cc(F)c2F)c(F)c1
InChIInChI=1S/C13H8F5N/c14-8-2-1-7(10(16)3-8)6-19-12-5-9(15)4-11(17)13(12)18/h1-5,19H,6H2
InChIKeyHZHKFMQXPOZYEA-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.99
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline

N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline (PubChem CID 55118690) has the molecular formula C13H8F5N and a molecular weight of 273.20 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
PubChem CID55118690
Molecular FormulaC13H8F5N
Molecular Weight273.20 g/mol
Exact Mass273.06
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
SMILESFc1ccc(CNc2cc(F)cc(F)c2F)c(F)c1
InChIInChI=1S/C13H8F5N/c14-8-2-1-7(10(16)3-8)6-19-12-5-9(15)4-11(17)13(12)18/h1-5,19H,6H2
InChIKeyHZHKFMQXPOZYEA-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.99
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

2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
N-[(2-bromo-5-chlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 66161147
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
2-methyl-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 112606802
2-bromo-6-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810492
2-chloro-1-N-[(2,4-difluorophenyl)methyl]benzene-1,4-diamine
CID 62222059
N-[(4-bromo-2-nitrophenyl)methyl]-2,3,5-trifluoroaniline
CID 114381283
2,3,5-trifluoro-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 55118875
4-bromo-1-N-[(2,4-difluorophenyl)methyl]benzene-1,2-diamine
CID 62227743
CID 58696093
CID 58696093

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline (CID 55118690) is N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline is Fc1ccc(CNc2cc(F)cc(F)c2F)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline?
The InChIKey is HZHKFMQXPOZYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N/c14-8-2-1-7(10(16)3-8)6-19-12-5-9(15)4-11(17)13(12)18/h1-5,19H,6H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline?
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline has a molecular weight of 273.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline is sourced from PubChem (CID 55118690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).