1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine

C10H16F3NO — CID 103147985

IUPAC1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine
SMILESCC#CCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h9H,4-8,14H2,1H3
InChIKeyGQVSRIMXWXNSNO-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.09
Rot. Bonds6

About 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine

1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine (PubChem CID 103147985) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine
PubChem CID103147985
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine
SMILESCC#CCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h9H,4-8,14H2,1H3
InChIKeyGQVSRIMXWXNSNO-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine (CID 103147985) is 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine is CC#CCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine?
The InChIKey is GQVSRIMXWXNSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h9H,4-8,14H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine?
1-(2,2,2-trifluoroethoxy)oct-6-yn-3-amine has a molecular weight of 223.24 g/mol, XLogP of 2.09, 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)oct-6-yn-3-amine is sourced from PubChem (CID 103147985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).