5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C10H18F3NO — CID 103148073

IUPAC5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESC=C(CC)CC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(2)6-9(14)4-5-15-7-10(11,12)13/h9H,2-7,14H2,1H3
InChIKeyLZAQPLYNIWVBJT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds7

About 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine

5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148073) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148073
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESC=C(CC)CC(N)CCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(2)6-9(14)4-5-15-7-10(11,12)13/h9H,2-7,14H2,1H3
InChIKeyLZAQPLYNIWVBJT-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'}

Analyze 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148073) is 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine is C=C(CC)CC(N)CCOCC(F)(F)F.
What is the InChIKey of 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is LZAQPLYNIWVBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-8(2)6-9(14)4-5-15-7-10(11,12)13/h9H,2-7,14H2,1H3.
What are the key properties of 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-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 5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).