1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine

C10H16F3NO — CID 103148119

IUPAC1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine
SMILESC#CCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h1,9H,3-8,14H2
InChIKeyJYLGQLMMIGIMEL-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.09
Rot. Bonds7

About 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine

1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine (PubChem CID 103148119) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine
PubChem CID103148119
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine
SMILESC#CCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h1,9H,3-8,14H2
InChIKeyJYLGQLMMIGIMEL-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

CID 64504134
CID 64504134
CID 64504336
CID 64504336
CID 64506278
CID 64506278
CID 103147985
CID 103147985
CID 103147993
CID 103147993
CID 103148008
CID 103148008
CID 103148031
CID 103148031
CID 103148064
CID 103148064
CID 103148065
CID 103148065
CID 103148080
CID 103148080
CID 103148084
CID 103148084
CID 103148186
CID 103148186

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine (CID 103148119) is 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine is C#CCCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine?
The InChIKey is JYLGQLMMIGIMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-2-3-4-5-9(14)6-7-15-8-10(11,12)13/h1,9H,3-8,14H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine?
1-(2,2,2-trifluoroethoxy)oct-7-yn-3-amine has a molecular weight of 223.24 g/mol, XLogP of 2.09, 7 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-7-yn-3-amine is sourced from PubChem (CID 103148119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).