2,6-difluoro-4-(1H-indol-6-yl)aniline

C14H10F2N2 — CID 19803477

IUPAC2,6-difluoro-4-(1H-indol-6-yl)aniline
SMILESNc1c(F)cc(-c2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C14H10F2N2/c15-11-5-10(6-12(16)14(11)17)9-2-1-8-3-4-18-13(8)7-9/h1-7,18H,17H2
InChIKeySXJUTPBFAZBSEP-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.70
Rot. Bonds1

About 2,6-difluoro-4-(1H-indol-6-yl)aniline

2,6-difluoro-4-(1H-indol-6-yl)aniline (PubChem CID 19803477) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2,6-difluoro-4-(1H-indol-6-yl)aniline.

Molecular Properties

Compound Name2,6-difluoro-4-(1H-indol-6-yl)aniline
PubChem CID19803477
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name2,6-difluoro-4-(1H-indol-6-yl)aniline
SMILESNc1c(F)cc(-c2ccc3cc[nH]c3c2)cc1F
InChIInChI=1S/C14H10F2N2/c15-11-5-10(6-12(16)14(11)17)9-2-1-8-3-4-18-13(8)7-9/h1-7,18H,17H2
InChIKeySXJUTPBFAZBSEP-UHFFFAOYSA-N
XLogP3.70
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.70
H-Bond Donors ≤ 52
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-difluoro-4-(1H-indol-6-yl)aniline?
The IUPAC name of 2,6-difluoro-4-(1H-indol-6-yl)aniline (CID 19803477) is 2,6-difluoro-4-(1H-indol-6-yl)aniline.
What is the SMILES notation for 2,6-difluoro-4-(1H-indol-6-yl)aniline?
The canonical SMILES for 2,6-difluoro-4-(1H-indol-6-yl)aniline is Nc1c(F)cc(-c2ccc3cc[nH]c3c2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(1H-indol-6-yl)aniline?
The InChIKey is SXJUTPBFAZBSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c15-11-5-10(6-12(16)14(11)17)9-2-1-8-3-4-18-13(8)7-9/h1-7,18H,17H2.
What are the key properties of 2,6-difluoro-4-(1H-indol-6-yl)aniline?
2,6-difluoro-4-(1H-indol-6-yl)aniline has a molecular weight of 244.24 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(1H-indol-6-yl)aniline is sourced from PubChem (CID 19803477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).