14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine

C21H39F2N — CID 123484686

IUPAC14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
SMILESCCCC(CC=CCCCC=CC(C)(C)C(CF)CCF)CNC
InChIInChI=1S/C21H39F2N/c1-5-12-19(18-24-4)13-10-8-6-7-9-11-15-21(2,3)20(17-23)14-16-22/h8,10-11,15,19-20,24H,5-7,9,12-14,16-18H2,1-4H3
InChIKeyBBUVBDURHGGFEO-UHFFFAOYSA-N
MW343.55 g/mol
LogP6.27
Rot. Bonds15

About 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine

14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine (PubChem CID 123484686) has the molecular formula C21H39F2N and a molecular weight of 343.55 g/mol. Its IUPAC name is 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine.

Molecular Properties

Compound Name14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
PubChem CID123484686
Molecular FormulaC21H39F2N
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
SMILESCCCC(CC=CCCCC=CC(C)(C)C(CF)CCF)CNC
InChIInChI=1S/C21H39F2N/c1-5-12-19(18-24-4)13-10-8-6-7-9-11-15-21(2,3)20(17-23)14-16-22/h8,10-11,15,19-20,24H,5-7,9,12-14,16-18H2,1-4H3
InChIKeyBBUVBDURHGGFEO-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.55
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine?
The IUPAC name of 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine (CID 123484686) is 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine.
What is the SMILES notation for 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine?
The canonical SMILES for 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine is CCCC(CC=CCCCC=CC(C)(C)C(CF)CCF)CNC.
What is the InChIKey of 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine?
The InChIKey is BBUVBDURHGGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39F2N/c1-5-12-19(18-24-4)13-10-8-6-7-9-11-15-21(2,3)20(17-23)14-16-22/h8,10-11,15,19-20,24H,5-7,9,12-14,16-18H2,1-4H3.
What are the key properties of 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine?
14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine has a molecular weight of 343.55 g/mol, XLogP of 6.27, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine is sourced from PubChem (CID 123484686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).