N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine

C10H18F3N — CID 66038743

IUPACN-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CC(F)(F)F)NCC
InChIInChI=1S/C10H18F3N/c1-4-8(3)6-9(14-5-2)7-10(11,12)13/h9,14H,3-7H2,1-2H3
InChIKeyZGKJXOUBIDTGHR-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.27
Rot. Bonds6

About N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine

N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine (PubChem CID 66038743) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine
PubChem CID66038743
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine
SMILESC=C(CC)CC(CC(F)(F)F)NCC
InChIInChI=1S/C10H18F3N/c1-4-8(3)6-9(14-5-2)7-10(11,12)13/h9,14H,3-7H2,1-2H3
InChIKeyZGKJXOUBIDTGHR-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine (CID 66038743) is N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine is C=C(CC)CC(CC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine?
The InChIKey is ZGKJXOUBIDTGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-4-8(3)6-9(14-5-2)7-10(11,12)13/h9,14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-amine?
N-ethyl-1,1,1-trifluoro-5-methylideneheptan-3-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-1,1,1-trifluoro-5-methylideneheptan-3-amine is sourced from PubChem (CID 66038743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).