N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine

C10H18F3N — CID 79598070

IUPACN-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine
SMILESCCNCCC=C(C)CCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-14-8-4-5-9(2)6-7-10(11,12)13/h5,14H,3-4,6-8H2,1-2H3
InChIKeyKQJAYGFCWIWDPZ-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine

N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine (PubChem CID 79598070) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine
PubChem CID79598070
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine
SMILESCCNCCC=C(C)CCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-3-14-8-4-5-9(2)6-7-10(11,12)13/h5,14H,3-4,6-8H2,1-2H3
InChIKeyKQJAYGFCWIWDPZ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-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 N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine?
The IUPAC name of N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine (CID 79598070) is N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine.
What is the SMILES notation for N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine?
The canonical SMILES for N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine is CCNCCC=C(C)CCC(F)(F)F.
What is the InChIKey of N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine?
The InChIKey is KQJAYGFCWIWDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-3-14-8-4-5-9(2)6-7-10(11,12)13/h5,14H,3-4,6-8H2,1-2H3.
What are the key properties of N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine?
N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,7,7-trifluoro-4-methylhept-3-en-1-amine is sourced from PubChem (CID 79598070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).