N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline

C15H12F2N4 — CID 43740293

IUPACN-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
SMILESFc1ccc(CNc2ccc(-n3nccn3)cc2)c(F)c1
InChIInChI=1S/C15H12F2N4/c16-12-2-1-11(15(17)9-12)10-18-13-3-5-14(6-4-13)21-19-7-8-20-21/h1-9,18H,10H2
InChIKeyUKLVQMZTCQINCB-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.16
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline

N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline (PubChem CID 43740293) has the molecular formula C15H12F2N4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
PubChem CID43740293
Molecular FormulaC15H12F2N4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline
SMILESFc1ccc(CNc2ccc(-n3nccn3)cc2)c(F)c1
InChIInChI=1S/C15H12F2N4/c16-12-2-1-11(15(17)9-12)10-18-13-3-5-14(6-4-13)21-19-7-8-20-21/h1-9,18H,10H2
InChIKeyUKLVQMZTCQINCB-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline (CID 43740293) is N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline is Fc1ccc(CNc2ccc(-n3nccn3)cc2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
The InChIKey is UKLVQMZTCQINCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-12-2-1-11(15(17)9-12)10-18-13-3-5-14(6-4-13)21-19-7-8-20-21/h1-9,18H,10H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline?
N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline has a molecular weight of 286.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 43740293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).