4-chloro-2-ethyl-3,6-difluoroaniline

C8H8ClF2N — CID 167154343

IUPAC4-chloro-2-ethyl-3,6-difluoroaniline
SMILESCCc1c(N)c(F)cc(Cl)c1F
InChIInChI=1S/C8H8ClF2N/c1-2-4-7(11)5(9)3-6(10)8(4)12/h3H,2,12H2,1H3
InChIKeyQBNJRIVAOLVWGD-UHFFFAOYSA-N
MW191.61 g/mol
LogP2.76
Rot. Bonds1

About 4-chloro-2-ethyl-3,6-difluoroaniline

4-chloro-2-ethyl-3,6-difluoroaniline (PubChem CID 167154343) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3,6-difluoroaniline.

Molecular Properties

Compound Name4-chloro-2-ethyl-3,6-difluoroaniline
PubChem CID167154343
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name4-chloro-2-ethyl-3,6-difluoroaniline
SMILESCCc1c(N)c(F)cc(Cl)c1F
InChIInChI=1S/C8H8ClF2N/c1-2-4-7(11)5(9)3-6(10)8(4)12/h3H,2,12H2,1H3
InChIKeyQBNJRIVAOLVWGD-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
Benzenamine, 4-chloro-2-(trifluoromethyl)-
CID 67961
2-Chloro-6-methylaniline
CID 6897
4-Chloro-2,6-dimethylaniline
CID 5073362
2-Chloro-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 117632184
2,4-Dichloro-6-(trifluoromethyl)aniline
CID 1268255
2,4-Dichloro-6-methylaniline
CID 1268287
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
4-Chloro-2,5-dimethylaniline
CID 12338307
4-Chloro-2-phenylaniline
CID 239637
4-Chloro-2-ethylaniline
CID 34871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3,6-difluoroaniline?
The IUPAC name of 4-chloro-2-ethyl-3,6-difluoroaniline (CID 167154343) is 4-chloro-2-ethyl-3,6-difluoroaniline.
What is the SMILES notation for 4-chloro-2-ethyl-3,6-difluoroaniline?
The canonical SMILES for 4-chloro-2-ethyl-3,6-difluoroaniline is CCc1c(N)c(F)cc(Cl)c1F.
What is the InChIKey of 4-chloro-2-ethyl-3,6-difluoroaniline?
The InChIKey is QBNJRIVAOLVWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-2-4-7(11)5(9)3-6(10)8(4)12/h3H,2,12H2,1H3.
What are the key properties of 4-chloro-2-ethyl-3,6-difluoroaniline?
4-chloro-2-ethyl-3,6-difluoroaniline has a molecular weight of 191.61 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3,6-difluoroaniline is sourced from PubChem (CID 167154343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).