1-carbazol-9-yl-N,N-difluoromethanamine

C13H10F2N2 — CID 145129490

IUPAC1-carbazol-9-yl-N,N-difluoromethanamine
SMILESFN(F)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C13H10F2N2/c14-17(15)9-16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyZGSIHEBQGZTXSN-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.82
Rot. Bonds2

About 1-carbazol-9-yl-N,N-difluoromethanamine

1-carbazol-9-yl-N,N-difluoromethanamine (PubChem CID 145129490) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-carbazol-9-yl-N,N-difluoromethanamine.

Molecular Properties

Compound Name1-carbazol-9-yl-N,N-difluoromethanamine
PubChem CID145129490
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC Name1-carbazol-9-yl-N,N-difluoromethanamine
SMILESFN(F)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C13H10F2N2/c14-17(15)9-16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyZGSIHEBQGZTXSN-UHFFFAOYSA-N
XLogP3.82
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-N,N-difluoromethanamine?
The IUPAC name of 1-carbazol-9-yl-N,N-difluoromethanamine (CID 145129490) is 1-carbazol-9-yl-N,N-difluoromethanamine.
What is the SMILES notation for 1-carbazol-9-yl-N,N-difluoromethanamine?
The canonical SMILES for 1-carbazol-9-yl-N,N-difluoromethanamine is FN(F)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-N,N-difluoromethanamine?
The InChIKey is ZGSIHEBQGZTXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-17(15)9-16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8H,9H2.
What are the key properties of 1-carbazol-9-yl-N,N-difluoromethanamine?
1-carbazol-9-yl-N,N-difluoromethanamine has a molecular weight of 232.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-N,N-difluoromethanamine is sourced from PubChem (CID 145129490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).