N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine

C11H20F3NO — CID 103215432

IUPACN-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
SMILESC=CCCCC(COCC(F)(F)F)NCC
InChIInChI=1S/C11H20F3NO/c1-3-5-6-7-10(15-4-2)8-16-9-11(12,13)14/h3,10,15H,1,4-9H2,2H3
InChIKeyWNQJIKNXPFQACW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.90
Rot. Bonds9

About N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine

N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine (PubChem CID 103215432) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
PubChem CID103215432
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
SMILESC=CCCCC(COCC(F)(F)F)NCC
InChIInChI=1S/C11H20F3NO/c1-3-5-6-7-10(15-4-2)8-16-9-11(12,13)14/h3,10,15H,1,4-9H2,2H3
InChIKeyWNQJIKNXPFQACW-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.90
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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Related Compounds

N-methyl-1-(1,1,2,2-tetrafluoroethoxy)hept-6-en-3-amine
CID 89088323
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohex-3-en-1-amine
CID 65703143
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
CID 103082750
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148339
N-ethyl-5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148484
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148669
N-propyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148689
1-(2,2-difluoroethoxy)-N-methyloct-7-en-3-amine
CID 103149205

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine (CID 103215432) is N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine is C=CCCCC(COCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
The InChIKey is WNQJIKNXPFQACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-5-6-7-10(15-4-2)8-16-9-11(12,13)14/h3,10,15H,1,4-9H2,2H3.
What are the key properties of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine?
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine is sourced from PubChem (CID 103215432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).