1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine

C16H21F8N — CID 87883095

IUPAC1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine
SMILESFCN(C1(F)C=CC=CC1)C(F)(F)C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C16H21F8N/c17-12-25(14(19)9-5-3-6-10-14)16(23,24)13(18)8-4-1-2-7-11-15(20,21)22/h3,5-6,9,13H,1-2,4,7-8,10-12H2
InChIKeyAFZQSAYSDCEWKH-UHFFFAOYSA-N
MW379.34 g/mol
LogP6.23
Rot. Bonds10

About 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine

1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine (PubChem CID 87883095) has the molecular formula C16H21F8N and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine
PubChem CID87883095
Molecular FormulaC16H21F8N
Molecular Weight379.34 g/mol
Exact Mass379.15
IUPAC Name1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine
SMILESFCN(C1(F)C=CC=CC1)C(F)(F)C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C16H21F8N/c17-12-25(14(19)9-5-3-6-10-14)16(23,24)13(18)8-4-1-2-7-11-15(20,21)22/h3,5-6,9,13H,1-2,4,7-8,10-12H2
InChIKeyAFZQSAYSDCEWKH-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.34
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine (CID 87883095) is 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine is FCN(C1(F)C=CC=CC1)C(F)(F)C(F)CCCCCCC(F)(F)F.
What is the InChIKey of 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is AFZQSAYSDCEWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F8N/c17-12-25(14(19)9-5-3-6-10-14)16(23,24)13(18)8-4-1-2-7-11-15(20,21)22/h3,5-6,9,13H,1-2,4,7-8,10-12H2.
What are the key properties of 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine?
1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 379.34 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(fluoromethyl)-N-(1,1,2,9,9,9-hexafluorononyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 87883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).