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

C12H22F3NO — CID 107009817

IUPAC1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
SMILESC=CCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-3-4-5-6-7-11(16)8-9-17-10-12(13,14)15/h2,11H,1,3-10,16H2
InChIKeyKHOGHPACPUWIDJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.42
Rot. Bonds10

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

1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine (PubChem CID 107009817) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
PubChem CID107009817
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
SMILESC=CCCCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-3-4-5-6-7-11(16)8-9-17-10-12(13,14)15/h2,11H,1,3-10,16H2
InChIKeyKHOGHPACPUWIDJ-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 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 ≤ 53.42
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

1-(2,2,2-trifluoroethoxy)oct-7-en-3-ol
CID 103147617
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
1-(2,2,2-trifluoroethoxy)non-8-en-2-ylhydrazine
CID 107012712
N-methyl-1-(2,2,2-trifluoroethoxy)non-8-en-2-amine
CID 107009840
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
octadec-17-ene-1,1-diamine
CID 87111501
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
1-(2,2,2-trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
12-dodec-11-enoxydodec-1-ene
CID 87325659
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine (CID 107009817) is 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine is C=CCCCCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
The InChIKey is KHOGHPACPUWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-3-4-5-6-7-11(16)8-9-17-10-12(13,14)15/h2,11H,1,3-10,16H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine?
1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine is sourced from PubChem (CID 107009817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).