N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine

C12H22F3NO — CID 107009840

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C12H22F3NO/c1-3-4-5-6-7-8-11(16-2)9-17-10-12(13,14)15/h3,11,16H,1,4-10H2,2H3
InChIKeyCHTJTXYILUTHNR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.29
Rot. Bonds10

About N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine

N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine (PubChem CID 107009840) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
PubChem CID107009840
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)F)NC
InChIInChI=1S/C12H22F3NO/c1-3-4-5-6-7-8-11(16-2)9-17-10-12(13,14)15/h3,11,16H,1,4-10H2,2H3
InChIKeyCHTJTXYILUTHNR-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine (CID 107009840) is N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine is C=CCCCCCC(COCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
The InChIKey is CHTJTXYILUTHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-4-5-6-7-8-11(16-2)9-17-10-12(13,14)15/h3,11,16H,1,4-10H2,2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine is sourced from PubChem (CID 107009840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).