1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine

C8H14F3NO — CID 103147964

IUPAC1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
SMILESC=CCC(N)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h2,7H,1,3-6,12H2
InChIKeyNTXSIFHEMRZGAX-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.86
Rot. Bonds6

About 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine

1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine (PubChem CID 103147964) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
PubChem CID103147964
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
SMILESC=CCC(N)CCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h2,7H,1,3-6,12H2
InChIKeyNTXSIFHEMRZGAX-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.86
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-amine
CID 103148007
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148016
1-(2,2,2-Trifluoroethoxy)hept-6-en-3-amine
CID 103148071
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148240
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148486
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148669
1-(2,2-Difluoroethoxy)hex-5-en-3-amine
CID 103148817
1-(2,2-Difluoroethoxy)oct-7-en-3-amine
CID 103148867
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
5-(2,2-Difluoroethoxy)-2-methylpent-1-en-3-amine
CID 103148886
1-(2,2-Difluoroethoxy)hept-6-en-3-amine
CID 103148953

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine (CID 103147964) is 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine is C=CCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The InChIKey is NTXSIFHEMRZGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h2,7H,1,3-6,12H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine has a molecular weight of 197.20 g/mol, XLogP of 1.86, 6 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)hex-5-en-3-amine is sourced from PubChem (CID 103147964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).