2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline

C9H4Cl2F7N — CID 10019496

IUPAC2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
SMILESNc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl2F7N/c10-4-1-3(2-5(11)6(4)19)7(12,8(13,14)15)9(16,17)18/h1-2H,19H2
InChIKeyNXWRKJGSRUCYEN-UHFFFAOYSA-N
MW330.03 g/mol
LogP4.86
Rot. Bonds1

About 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline

2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline (PubChem CID 10019496) has the molecular formula C9H4Cl2F7N and a molecular weight of 330.03 g/mol. Its IUPAC name is 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
PubChem CID10019496
Molecular FormulaC9H4Cl2F7N
Molecular Weight330.03 g/mol
Exact Mass328.96
IUPAC Name2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
SMILESNc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C9H4Cl2F7N/c10-4-1-3(2-5(11)6(4)19)7(12,8(13,14)15)9(16,17)18/h1-2H,19H2
InChIKeyNXWRKJGSRUCYEN-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.03
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline (CID 10019496) is 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline is Nc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline?
The InChIKey is NXWRKJGSRUCYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F7N/c10-4-1-3(2-5(11)6(4)19)7(12,8(13,14)15)9(16,17)18/h1-2H,19H2.
What are the key properties of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline?
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline has a molecular weight of 330.03 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline is sourced from PubChem (CID 10019496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).