3-fluoro-N-(4-fluorophenyl)aniline

C12H9F2N — CID 54316192

IUPAC3-fluoro-N-(4-fluorophenyl)aniline
SMILESFc1ccc(Nc2cccc(F)c2)cc1
InChIInChI=1S/C12H9F2N/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,15H
InChIKeyVNEPDNYADJKDAL-UHFFFAOYSA-N
MW205.21 g/mol
LogP3.71
Rot. Bonds2

About 3-fluoro-N-(4-fluorophenyl)aniline

3-fluoro-N-(4-fluorophenyl)aniline (PubChem CID 54316192) has the molecular formula C12H9F2N and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)aniline
PubChem CID54316192
Molecular FormulaC12H9F2N
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-fluoro-N-(4-fluorophenyl)aniline
SMILESFc1ccc(Nc2cccc(F)c2)cc1
InChIInChI=1S/C12H9F2N/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,15H
InChIKeyVNEPDNYADJKDAL-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N-phenylaniline
CID 2774466
N-[4-(aminomethyl)phenyl]-3-fluoroaniline
CID 117027398
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
N-(3-fluorophenyl)-3-phenylaniline
CID 126702115
N-(4-cyclohexylphenyl)-3-fluoroaniline
CID 166048926
methyl 4-(3-fluoroanilino)benzoate
CID 67974249
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)aniline?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)aniline (CID 54316192) is 3-fluoro-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)aniline?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)aniline is Fc1ccc(Nc2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)aniline?
The InChIKey is VNEPDNYADJKDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,15H.
What are the key properties of 3-fluoro-N-(4-fluorophenyl)aniline?
3-fluoro-N-(4-fluorophenyl)aniline has a molecular weight of 205.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 54316192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).