2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

C14H9F6N — CID 62815004

IUPAC2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(F)c(NCc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C14H9F6N/c15-10-5-12(17)13(6-11(10)16)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2
InChIKeyUBLVBSSEDZBWCH-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.73
Rot. Bonds3

About 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline

2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (PubChem CID 62815004) has the molecular formula C14H9F6N and a molecular weight of 305.22 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
PubChem CID62815004
Molecular FormulaC14H9F6N
Molecular Weight305.22 g/mol
Exact Mass305.06
IUPAC Name2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
SMILESFc1cc(F)c(NCc2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C14H9F6N/c15-10-5-12(17)13(6-11(10)16)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2
InChIKeyUBLVBSSEDZBWCH-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.73
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

2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
4-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43425410
N-[(4-bromophenyl)methyl]-2,4,5-trifluoroaniline
CID 62815003
N-benzyl-2-fluoro-4-(trifluoromethyl)aniline
CID 103636039
4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
N-[(3,4-dichlorophenyl)methyl]-2,4,5-trifluoroaniline
CID 63476489
2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 14098781
2,5-dibromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 43736693
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
2-bromo-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)aniline
CID 115511612
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29031697

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline (CID 62815004) is 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is Fc1cc(F)c(NCc2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
The InChIKey is UBLVBSSEDZBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N/c15-10-5-12(17)13(6-11(10)16)21-7-8-1-3-9(4-2-8)14(18,19)20/h1-6,21H,7H2.
What are the key properties of 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline?
2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline has a molecular weight of 305.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 62815004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).