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

C9H16F3NO — CID 103148240

IUPACN-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
SMILESC=CCC(CCOCC(F)(F)F)NC
InChIInChI=1S/C9H16F3NO/c1-3-4-8(13-2)5-6-14-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3
InChIKeyFIAQYKNUMKMUSS-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds7

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

N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine (PubChem CID 103148240) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine.

Molecular Properties

Compound NameN-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
PubChem CID103148240
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
SMILESC=CCC(CCOCC(F)(F)F)NC
InChIInChI=1S/C9H16F3NO/c1-3-4-8(13-2)5-6-14-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3
InChIKeyFIAQYKNUMKMUSS-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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 N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The IUPAC name of N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine (CID 103148240) is N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine.
What is the SMILES notation for N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The canonical SMILES for N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine is C=CCC(CCOCC(F)(F)F)NC.
What is the InChIKey of N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
The InChIKey is FIAQYKNUMKMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-4-8(13-2)5-6-14-7-9(10,11)12/h3,8,13H,1,4-7H2,2H3.
What are the key properties of N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine?
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine is sourced from PubChem (CID 103148240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).