N-(3,5-difluorophenyl)-3,4-difluoroaniline

C12H7F4N — CID 82536889

IUPACN-(3,5-difluorophenyl)-3,4-difluoroaniline
SMILESFc1cc(F)cc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H7F4N/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6,17H
InChIKeyQYANLOWRSOEJRF-UHFFFAOYSA-N
MW241.19 g/mol
LogP3.99
Rot. Bonds2

About N-(3,5-difluorophenyl)-3,4-difluoroaniline

N-(3,5-difluorophenyl)-3,4-difluoroaniline (PubChem CID 82536889) has the molecular formula C12H7F4N and a molecular weight of 241.19 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3,4-difluoroaniline.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3,4-difluoroaniline
PubChem CID82536889
Molecular FormulaC12H7F4N
Molecular Weight241.19 g/mol
Exact Mass241.05
IUPAC NameN-(3,5-difluorophenyl)-3,4-difluoroaniline
SMILESFc1cc(F)cc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H7F4N/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6,17H
InChIKeyQYANLOWRSOEJRF-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115367816
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CID 80722910
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
5-(3-amino-5-fluoroanilino)-2-fluorobenzonitrile
CID 55057774
3,4-difluoro-N-methylaniline;ethane
CID 143398651
3-(4-chloroanilino)-5-fluorobenzonitrile
CID 102815066
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323
3-N-(3,4-difluorophenyl)-5-nitrobenzene-1,3-diamine
CID 80762616
(2S)-2-(3,4-difluoroanilino)-2-fluoroacetic acid
CID 87546638
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3,4-difluoroaniline?
The IUPAC name of N-(3,5-difluorophenyl)-3,4-difluoroaniline (CID 82536889) is N-(3,5-difluorophenyl)-3,4-difluoroaniline.
What is the SMILES notation for N-(3,5-difluorophenyl)-3,4-difluoroaniline?
The canonical SMILES for N-(3,5-difluorophenyl)-3,4-difluoroaniline is Fc1cc(F)cc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3,4-difluoroaniline?
The InChIKey is QYANLOWRSOEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N/c13-7-3-8(14)5-10(4-7)17-9-1-2-11(15)12(16)6-9/h1-6,17H.
What are the key properties of N-(3,5-difluorophenyl)-3,4-difluoroaniline?
N-(3,5-difluorophenyl)-3,4-difluoroaniline has a molecular weight of 241.19 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3,4-difluoroaniline is sourced from PubChem (CID 82536889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).