N-(4-chlorophenyl)-2,5-difluoroaniline

C12H8ClF2N — CID 82536926

IUPACN-(4-chlorophenyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8ClF2N/c13-8-1-4-10(5-2-8)16-12-7-9(14)3-6-11(12)15/h1-7,16H
InChIKeyNKCIKVLCCURMDF-UHFFFAOYSA-N
MW239.65 g/mol
LogP4.36
Rot. Bonds2

About N-(4-chlorophenyl)-2,5-difluoroaniline

N-(4-chlorophenyl)-2,5-difluoroaniline (PubChem CID 82536926) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-difluoroaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,5-difluoroaniline
PubChem CID82536926
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC NameN-(4-chlorophenyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8ClF2N/c13-8-1-4-10(5-2-8)16-12-7-9(14)3-6-11(12)15/h1-7,16H
InChIKeyNKCIKVLCCURMDF-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991
4-(2,5-difluoroanilino)benzoic acid
CID 62231203
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
N-(4-chlorophenyl)-2,3,4-trifluoroaniline
CID 82536911
2-(2,5-difluoroanilino)phenol
CID 82537391
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
4-chloro-N-(2,5-difluorophenyl)-1,2,5-thiadiazol-3-amine
CID 43808139
1-N-(5-chloro-2-fluorophenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506596
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
4-N-(2-chloro-4-fluorophenyl)benzene-1,4-diamine
CID 29080218

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-difluoroaniline?
The IUPAC name of N-(4-chlorophenyl)-2,5-difluoroaniline (CID 82536926) is N-(4-chlorophenyl)-2,5-difluoroaniline.
What is the SMILES notation for N-(4-chlorophenyl)-2,5-difluoroaniline?
The canonical SMILES for N-(4-chlorophenyl)-2,5-difluoroaniline is Fc1ccc(F)c(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-2,5-difluoroaniline?
The InChIKey is NKCIKVLCCURMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-8-1-4-10(5-2-8)16-12-7-9(14)3-6-11(12)15/h1-7,16H.
What are the key properties of N-(4-chlorophenyl)-2,5-difluoroaniline?
N-(4-chlorophenyl)-2,5-difluoroaniline has a molecular weight of 239.65 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,5-difluoroaniline is sourced from PubChem (CID 82536926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).