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

C12H8ClF2N — CID 82536991

IUPACN-(2-chlorophenyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(Nc2ccccc2Cl)c1
InChIInChI=1S/C12H8ClF2N/c13-9-3-1-2-4-11(9)16-12-7-8(14)5-6-10(12)15/h1-7,16H
InChIKeyMPFSRLCGQWZQFP-UHFFFAOYSA-N
MW239.65 g/mol
LogP4.36
Rot. Bonds2

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

N-(2-chlorophenyl)-2,5-difluoroaniline (PubChem CID 82536991) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2,5-difluoroaniline.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2,5-difluoroaniline
PubChem CID82536991
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC NameN-(2-chlorophenyl)-2,5-difluoroaniline
SMILESFc1ccc(F)c(Nc2ccccc2Cl)c1
InChIInChI=1S/C12H8ClF2N/c13-9-3-1-2-4-11(9)16-12-7-8(14)5-6-10(12)15/h1-7,16H
InChIKeyMPFSRLCGQWZQFP-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

2-(2,5-difluoroanilino)phenol
CID 82537391
N-(4-chlorophenyl)-2,5-difluoroaniline
CID 82536926
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
1-(2,3-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17381854
2,3,5-trichloro-N-(2-chlorophenyl)aniline
CID 101290830
3-chloro-1-N-(2,4-difluorophenyl)benzene-1,2-diamine
CID 104834051
2,4,6-trichloro-N-(2-chlorophenyl)aniline
CID 101290833
4-(aminomethyl)-N-(2-chlorophenyl)-2-fluoroaniline
CID 82297676
2-N-(2-chloro-5-fluorophenyl)-4-fluorobenzene-1,2-diamine
CID 107526804

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2,5-difluoroaniline?
The IUPAC name of N-(2-chlorophenyl)-2,5-difluoroaniline (CID 82536991) is N-(2-chlorophenyl)-2,5-difluoroaniline.
What is the SMILES notation for N-(2-chlorophenyl)-2,5-difluoroaniline?
The canonical SMILES for N-(2-chlorophenyl)-2,5-difluoroaniline is Fc1ccc(F)c(Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2,5-difluoroaniline?
The InChIKey is MPFSRLCGQWZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-9-3-1-2-4-11(9)16-12-7-8(14)5-6-10(12)15/h1-7,16H.
What are the key properties of N-(2-chlorophenyl)-2,5-difluoroaniline?
N-(2-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-(2-chlorophenyl)-2,5-difluoroaniline is sourced from PubChem (CID 82536991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).