2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C10H18F3NO — CID 102640423

IUPAC2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESC=CC(C)(CN)CCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-9(2,7-14)5-4-6-15-8-10(11,12)13/h3H,1,4-8,14H2,2H3
InChIKeyKHTZHNJFWVSIAZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.50
Rot. Bonds7

About 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 102640423) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID102640423
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESC=CC(C)(CN)CCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-9(2,7-14)5-4-6-15-8-10(11,12)13/h3H,1,4-8,14H2,2H3
InChIKeyKHTZHNJFWVSIAZ-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.50
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

2-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
4-Fluoro-4-(methoxymethyl)hex-5-en-1-amine
CID 103392618
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-Ethenyl-5-methoxy-2-methylpentan-1-amine
CID 102640398
2-Ethenyl-5-(2-methoxyethoxy)-2-methylpentan-1-amine
CID 103412762

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 102640423) is 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is C=CC(C)(CN)CCCOCC(F)(F)F.
What is the InChIKey of 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is KHTZHNJFWVSIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-9(2,7-14)5-4-6-15-8-10(11,12)13/h3H,1,4-8,14H2,2H3.
What are the key properties of 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 102640423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).