2-chloro-6-(difluoromethyl)aniline

C7H6ClF2N — CID 84656251

IUPAC2-chloro-6-(difluoromethyl)aniline
SMILESNc1c(Cl)cccc1C(F)F
InChIInChI=1S/C7H6ClF2N/c8-5-3-1-2-4(6(5)11)7(9)10/h1-3,7H,11H2
InChIKeyZCMWPQNTRMSFKP-UHFFFAOYSA-N
MW177.58 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-6-(difluoromethyl)aniline

2-chloro-6-(difluoromethyl)aniline (PubChem CID 84656251) has the molecular formula C7H6ClF2N and a molecular weight of 177.58 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)aniline
PubChem CID84656251
Molecular FormulaC7H6ClF2N
Molecular Weight177.58 g/mol
Exact Mass177.02
IUPAC Name2-chloro-6-(difluoromethyl)aniline
SMILESNc1c(Cl)cccc1C(F)F
InChIInChI=1S/C7H6ClF2N/c8-5-3-1-2-4(6(5)11)7(9)10/h1-3,7H,11H2
InChIKeyZCMWPQNTRMSFKP-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-propan-2-ylaniline
CID 18981698
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
2-(1-amino-2,2-dimethylpropyl)-6-chloroaniline
CID 130043324
1-(2-amino-3-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 105467275
2-chloro-6-(difluoromethylsulfanyl)aniline
CID 106701531
1-(2-amino-3-chlorophenyl)butane-1,4-diol
CID 105469278
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
2-amino-3-chlorophenol
CID 19828962
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619
(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
CID 155687240
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
CID 105487348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)aniline?
The IUPAC name of 2-chloro-6-(difluoromethyl)aniline (CID 84656251) is 2-chloro-6-(difluoromethyl)aniline.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)aniline?
The canonical SMILES for 2-chloro-6-(difluoromethyl)aniline is Nc1c(Cl)cccc1C(F)F.
What is the InChIKey of 2-chloro-6-(difluoromethyl)aniline?
The InChIKey is ZCMWPQNTRMSFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N/c8-5-3-1-2-4(6(5)11)7(9)10/h1-3,7H,11H2.
What are the key properties of 2-chloro-6-(difluoromethyl)aniline?
2-chloro-6-(difluoromethyl)aniline has a molecular weight of 177.58 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethyl)aniline is sourced from PubChem (CID 84656251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).