6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

C10H18F3NO — CID 103148112

IUPAC6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=C(C)CCC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)3-4-9(14)5-6-15-7-10(11,12)13/h9H,1,3-7,14H2,2H3
InChIKeyCZPQGGAAHHHMPA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds7

About 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine

6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (PubChem CID 103148112) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.

Molecular Properties

Compound Name6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
PubChem CID103148112
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
SMILESC=C(C)CCC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)3-4-9(14)5-6-15-7-10(11,12)13/h9H,1,3-7,14H2,2H3
InChIKeyCZPQGGAAHHHMPA-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The IUPAC name of 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine (CID 103148112) is 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine.
What is the SMILES notation for 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The canonical SMILES for 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine is C=C(C)CCC(N)CCOCC(F)(F)F.
What is the InChIKey of 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
The InChIKey is CZPQGGAAHHHMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)3-4-9(14)5-6-15-7-10(11,12)13/h9H,1,3-7,14H2,2H3.
What are the key properties of 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine?
6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine is sourced from PubChem (CID 103148112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).