7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine

C10H18F3NO — CID 79599700

IUPAC7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
SMILESCOCCNCCC=CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-15-9-8-14-7-5-3-2-4-6-10(11,12)13/h2-3,14H,4-9H2,1H3
InChIKeyDLIQTABEPMEFII-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds8

About 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine

7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine (PubChem CID 79599700) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
PubChem CID79599700
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine
SMILESCOCCNCCC=CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-15-9-8-14-7-5-3-2-4-6-10(11,12)13/h2-3,14H,4-9H2,1H3
InChIKeyDLIQTABEPMEFII-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
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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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine?
The IUPAC name of 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine (CID 79599700) is 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine.
What is the SMILES notation for 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine?
The canonical SMILES for 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine is COCCNCCC=CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine?
The InChIKey is DLIQTABEPMEFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-15-9-8-14-7-5-3-2-4-6-10(11,12)13/h2-3,14H,4-9H2,1H3.
What are the key properties of 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine?
7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N-(2-methoxyethyl)hept-3-en-1-amine is sourced from PubChem (CID 79599700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).