N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine

C14H26F3NO — CID 107009819

IUPACN-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
SMILESC=CCCCCCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C14H26F3NO/c1-3-5-6-7-8-9-13(18-4-2)10-11-19-12-14(15,16)17/h3,13,18H,1,4-12H2,2H3
InChIKeyOTEQERSUTWAYOU-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.07
Rot. Bonds12

About N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine

N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine (PubChem CID 107009819) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
PubChem CID107009819
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
SMILESC=CCCCCCC(CCOCC(F)(F)F)NCC
InChIInChI=1S/C14H26F3NO/c1-3-5-6-7-8-9-13(18-4-2)10-11-19-12-14(15,16)17/h3,13,18H,1,4-12H2,2H3
InChIKeyOTEQERSUTWAYOU-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.07
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
1-(2,2,2-Trifluoroethoxy)oct-7-en-3-amine
CID 103148007
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
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-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
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-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The IUPAC name of N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine (CID 107009819) is N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine.
What is the SMILES notation for N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The canonical SMILES for N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine is C=CCCCCCC(CCOCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The InChIKey is OTEQERSUTWAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-5-6-7-8-9-13(18-4-2)10-11-19-12-14(15,16)17/h3,13,18H,1,4-12H2,2H3.
What are the key properties of N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
N-ethyl-1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine has a molecular weight of 281.36 g/mol, XLogP of 4.07, 12 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)dec-9-en-3-amine is sourced from PubChem (CID 107009819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).