4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline

C22H14F4N2 — CID 146374162

IUPAC4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline
SMILESNc1cc(F)c(-c2ccc3cc(-c4c(F)cc(N)cc4F)ccc3c2)c(F)c1
InChIInChI=1S/C22H14F4N2/c23-17-7-15(27)8-18(24)21(17)13-3-1-11-5-14(4-2-12(11)6-13)22-19(25)9-16(28)10-20(22)26/h1-10H,27-28H2
InChIKeyDVOZLKWFTDUEII-UHFFFAOYSA-N
MW382.36 g/mol
LogP5.89
Rot. Bonds2

About 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline

4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline (PubChem CID 146374162) has the molecular formula C22H14F4N2 and a molecular weight of 382.36 g/mol. Its IUPAC name is 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline.

Molecular Properties

Compound Name4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline
PubChem CID146374162
Molecular FormulaC22H14F4N2
Molecular Weight382.36 g/mol
Exact Mass382.11
IUPAC Name4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline
SMILESNc1cc(F)c(-c2ccc3cc(-c4c(F)cc(N)cc4F)ccc3c2)c(F)c1
InChIInChI=1S/C22H14F4N2/c23-17-7-15(27)8-18(24)21(17)13-3-1-11-5-14(4-2-12(11)6-13)22-19(25)9-16(28)10-20(22)26/h1-10H,27-28H2
InChIKeyDVOZLKWFTDUEII-UHFFFAOYSA-N
XLogP5.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.36
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline?
The IUPAC name of 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline (CID 146374162) is 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline.
What is the SMILES notation for 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline?
The canonical SMILES for 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline is Nc1cc(F)c(-c2ccc3cc(-c4c(F)cc(N)cc4F)ccc3c2)c(F)c1.
What is the InChIKey of 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline?
The InChIKey is DVOZLKWFTDUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F4N2/c23-17-7-15(27)8-18(24)21(17)13-3-1-11-5-14(4-2-12(11)6-13)22-19(25)9-16(28)10-20(22)26/h1-10H,27-28H2.
What are the key properties of 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline?
4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline has a molecular weight of 382.36 g/mol, XLogP of 5.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline is sourced from PubChem (CID 146374162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).