N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

C11H20F3NO — CID 103148561

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

About N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (PubChem CID 103148561) 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-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
PubChem CID103148561
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=CCCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C11H20F3NO/c1-3-5-6-10(15-4-2)7-8-16-9-11(12,13)14/h3,10,15H,1,4-9H2,2H3
InChIKeyQZFJWJHZKSHNPQ-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-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-(2,2,2-trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
1-ethoxyhept-6-en-3-ylhydrazine
CID 105311649
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
CID 82957714
1-(2,2,2-trifluoroethoxy)pentan-3-ylhydrazine
CID 103151464
N-ethyltridec-1-en-5-amine
CID 104987742
1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
CID 103147617
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
CID 107009817
N-ethyl-1-propoxyhexan-3-amine
CID 105080266

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (CID 103148561) is N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine is C=CCCC(CCOCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The InChIKey is QZFJWJHZKSHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-5-6-10(15-4-2)7-8-16-9-11(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-3-amine?
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-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-3-amine is sourced from PubChem (CID 103148561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).