N-(2-chlorophenyl)-3,5-difluoroaniline

C12H8ClF2N — CID 82536990

IUPACN-(2-chlorophenyl)-3,5-difluoroaniline
SMILESFc1cc(F)cc(Nc2ccccc2Cl)c1
InChIInChI=1S/C12H8ClF2N/c13-11-3-1-2-4-12(11)16-10-6-8(14)5-9(15)7-10/h1-7,16H
InChIKeyVYGFFSXCSPCWLO-UHFFFAOYSA-N
MW239.65 g/mol
LogP4.36
Rot. Bonds2

About N-(2-chlorophenyl)-3,5-difluoroaniline

N-(2-chlorophenyl)-3,5-difluoroaniline (PubChem CID 82536990) has the molecular formula C12H8ClF2N and a molecular weight of 239.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,5-difluoroaniline.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,5-difluoroaniline
PubChem CID82536990
Molecular FormulaC12H8ClF2N
Molecular Weight239.65 g/mol
Exact Mass239.03
IUPAC NameN-(2-chlorophenyl)-3,5-difluoroaniline
SMILESFc1cc(F)cc(Nc2ccccc2Cl)c1
InChIInChI=1S/C12H8ClF2N/c13-11-3-1-2-4-12(11)16-10-6-8(14)5-9(15)7-10/h1-7,16H
InChIKeyVYGFFSXCSPCWLO-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

3-chloro-N-(3,5-difluorophenyl)-2-nitroaniline
CID 104838755
N-(2-chlorophenyl)-2,5-difluoroaniline
CID 82536991
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
5-(2-chloroanilino)-2-fluorobenzoic acid
CID 82536969
N-(2-chlorophenyl)pyrimidin-5-amine
CID 82536995
1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
2,4,6-trichloro-N-(2-chlorophenyl)aniline
CID 101290833
N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline
CID 171920464
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
1-[3-chloro-2-(2-hydroxyethyl)phenyl]-3-(3,5-difluorophenyl)urea
CID 156854357

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,5-difluoroaniline?
The IUPAC name of N-(2-chlorophenyl)-3,5-difluoroaniline (CID 82536990) is N-(2-chlorophenyl)-3,5-difluoroaniline.
What is the SMILES notation for N-(2-chlorophenyl)-3,5-difluoroaniline?
The canonical SMILES for N-(2-chlorophenyl)-3,5-difluoroaniline is Fc1cc(F)cc(Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-3,5-difluoroaniline?
The InChIKey is VYGFFSXCSPCWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N/c13-11-3-1-2-4-12(11)16-10-6-8(14)5-9(15)7-10/h1-7,16H.
What are the key properties of N-(2-chlorophenyl)-3,5-difluoroaniline?
N-(2-chlorophenyl)-3,5-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)-3,5-difluoroaniline is sourced from PubChem (CID 82536990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).