2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline

C14H11F4NO — CID 43090343

IUPAC2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C14H11F4NO/c1-20-12-5-2-8(6-10(12)16)7-19-11-4-3-9(15)13(17)14(11)18/h2-6,19H,7H2,1H3
InChIKeyVAJYLMBZIJUCET-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.86
Rot. Bonds4

About 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline

2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline (PubChem CID 43090343) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
PubChem CID43090343
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(F)c(F)c2F)cc1F
InChIInChI=1S/C14H11F4NO/c1-20-12-5-2-8(6-10(12)16)7-19-11-4-3-9(15)13(17)14(11)18/h2-6,19H,7H2,1H3
InChIKeyVAJYLMBZIJUCET-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 43235538
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylaniline
CID 43235477
5-bromo-2,4-difluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 102853055
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-4-methylsulfonylaniline
CID 75518942
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
2-N-[(3,4-difluorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83004452
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-nitroaniline
CID 60750898

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
The IUPAC name of 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline (CID 43090343) is 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline is COc1ccc(CNc2ccc(F)c(F)c2F)cc1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
The InChIKey is VAJYLMBZIJUCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-20-12-5-2-8(6-10(12)16)7-19-11-4-3-9(15)13(17)14(11)18/h2-6,19H,7H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline?
2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline has a molecular weight of 285.24 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 43090343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).