N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine

C11H20F3N — CID 79953931

IUPACN-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(CCC(F)(F)F)NCC
InChIInChI=1S/C11H20F3N/c1-4-9(3)8-10(15-5-2)6-7-11(12,13)14/h10,15H,3-8H2,1-2H3
InChIKeyAGMDQVXHVMAPJQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.66
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine

N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine (PubChem CID 79953931) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine
PubChem CID79953931
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC NameN-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine
SMILESC=C(CC)CC(CCC(F)(F)F)NCC
InChIInChI=1S/C11H20F3N/c1-4-9(3)8-10(15-5-2)6-7-11(12,13)14/h10,15H,3-8H2,1-2H3
InChIKeyAGMDQVXHVMAPJQ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine (CID 79953931) is N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine is C=C(CC)CC(CCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine?
The InChIKey is AGMDQVXHVMAPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-4-9(3)8-10(15-5-2)6-7-11(12,13)14/h10,15H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine?
N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine has a molecular weight of 223.28 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-6-methylideneoctan-4-amine is sourced from PubChem (CID 79953931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).