2-chloro-3,4-difluoroaniline

C6H4ClF2N — CID 53255483

IUPAC2-chloro-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1Cl
InChIInChI=1S/C6H4ClF2N/c7-5-4(10)2-1-3(8)6(5)9/h1-2H,10H2
InChIKeyUKKFELITTUIEND-UHFFFAOYSA-N
MW163.55 g/mol
LogP2.20
Rot. Bonds

About 2-chloro-3,4-difluoroaniline

2-chloro-3,4-difluoroaniline (PubChem CID 53255483) has the molecular formula C6H4ClF2N and a molecular weight of 163.55 g/mol. Its IUPAC name is 2-chloro-3,4-difluoroaniline.

Molecular Properties

Compound Name2-chloro-3,4-difluoroaniline
PubChem CID53255483
Molecular FormulaC6H4ClF2N
Molecular Weight163.55 g/mol
Exact Mass163.00
IUPAC Name2-chloro-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1Cl
InChIInChI=1S/C6H4ClF2N/c7-5-4(10)2-1-3(8)6(5)9/h1-2H,10H2
InChIKeyUKKFELITTUIEND-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-Chloroaniline
CID 7240
4-Chloroaniline
CID 7812
2,5-Dichloroaniline
CID 7262
3-Chloroaniline
CID 7932
2,3-Dichloroaniline
CID 11844
2,4-Dichloroaniline
CID 11123
4-Chloro-M-phenylenediamine
CID 21209
4-Chloroaniline hydrochloride
CID 5284363
2,4-Difluoroaniline
CID 9709
3-Chloro-4-fluoroaniline
CID 9708
2,6-Dichloroaniline
CID 11846
3,5-Dichloro-2,4-difluorobenzenamine
CID 2774000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-difluoroaniline?
The IUPAC name of 2-chloro-3,4-difluoroaniline (CID 53255483) is 2-chloro-3,4-difluoroaniline.
What is the SMILES notation for 2-chloro-3,4-difluoroaniline?
The canonical SMILES for 2-chloro-3,4-difluoroaniline is Nc1ccc(F)c(F)c1Cl.
What is the InChIKey of 2-chloro-3,4-difluoroaniline?
The InChIKey is UKKFELITTUIEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2N/c7-5-4(10)2-1-3(8)6(5)9/h1-2H,10H2.
What are the key properties of 2-chloro-3,4-difluoroaniline?
2-chloro-3,4-difluoroaniline has a molecular weight of 163.55 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-difluoroaniline is sourced from PubChem (CID 53255483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).