1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine

C17H25F6N — CID 87882976

IUPAC1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
SMILESCCCCCCCCCN(C1(F)C=CC=CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H25F6N/c1-2-3-4-5-6-7-11-14-24(17(22,23)16(19,20)21)15(18)12-9-8-10-13-15/h8-10,12H,2-7,11,13-14H2,1H3
InChIKeyLETLMGPQXJVJOY-UHFFFAOYSA-N
MW357.38 g/mol
LogP6.38
Rot. Bonds10

About 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine

1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 87882976) has the molecular formula C17H25F6N and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
PubChem CID87882976
Molecular FormulaC17H25F6N
Molecular Weight357.38 g/mol
Exact Mass357.19
IUPAC Name1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
SMILESCCCCCCCCCN(C1(F)C=CC=CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H25F6N/c1-2-3-4-5-6-7-11-14-24(17(22,23)16(19,20)21)15(18)12-9-8-10-13-15/h8-10,12H,2-7,11,13-14H2,1H3
InChIKeyLETLMGPQXJVJOY-UHFFFAOYSA-N
XLogP6.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 56.38
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine (CID 87882976) is 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine is CCCCCCCCCN(C1(F)C=CC=CC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is LETLMGPQXJVJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F6N/c1-2-3-4-5-6-7-11-14-24(17(22,23)16(19,20)21)15(18)12-9-8-10-13-15/h8-10,12H,2-7,11,13-14H2,1H3.
What are the key properties of 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine?
1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 357.38 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-nonyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 87882976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).