2,5-difluoro-4-(4-phenylphenyl)aniline

C18H13F2N — CID 107615842

IUPAC2,5-difluoro-4-(4-phenylphenyl)aniline
SMILESNc1cc(F)c(-c2ccc(-c3ccccc3)cc2)cc1F
InChIInChI=1S/C18H13F2N/c19-16-11-18(21)17(20)10-15(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,21H2
InChIKeyRCUSLBHHDGALAU-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.88
Rot. Bonds2

About 2,5-difluoro-4-(4-phenylphenyl)aniline

2,5-difluoro-4-(4-phenylphenyl)aniline (PubChem CID 107615842) has the molecular formula C18H13F2N and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,5-difluoro-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(4-phenylphenyl)aniline
PubChem CID107615842
Molecular FormulaC18H13F2N
Molecular Weight281.31 g/mol
Exact Mass281.10
IUPAC Name2,5-difluoro-4-(4-phenylphenyl)aniline
SMILESNc1cc(F)c(-c2ccc(-c3ccccc3)cc2)cc1F
InChIInChI=1S/C18H13F2N/c19-16-11-18(21)17(20)10-15(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,21H2
InChIKeyRCUSLBHHDGALAU-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 140924255
2,5-difluoro-4-[4-(2-methylpropyl)phenyl]aniline
CID 107616154
N,N-dimethylmethanamine;2-fluoro-4-phenylaniline
CID 22288747
4-phenyl-2-(4-phenylphenyl)aniline
CID 153492708
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
2-[4-amino-3-[4-amino-3-[4-amino-3-[4-amino-3-(4-amino-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylaniline
CID 100933717
2,4-difluoro-5-(3-methylphenyl)aniline
CID 164576434
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
4-fluoro-5-phenyl-2-propan-2-yloxyaniline
CID 175239522
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
2,5-difluoro-4-(2-methyl-4-pyridinyl)aniline
CID 107616009

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(4-phenylphenyl)aniline?
The IUPAC name of 2,5-difluoro-4-(4-phenylphenyl)aniline (CID 107615842) is 2,5-difluoro-4-(4-phenylphenyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-(4-phenylphenyl)aniline?
The canonical SMILES for 2,5-difluoro-4-(4-phenylphenyl)aniline is Nc1cc(F)c(-c2ccc(-c3ccccc3)cc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(4-phenylphenyl)aniline?
The InChIKey is RCUSLBHHDGALAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N/c19-16-11-18(21)17(20)10-15(16)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,21H2.
What are the key properties of 2,5-difluoro-4-(4-phenylphenyl)aniline?
2,5-difluoro-4-(4-phenylphenyl)aniline has a molecular weight of 281.31 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 107615842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).