7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine

C9H16F3N — CID 79952584

IUPAC7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(CCC(F)(F)F)NC
InChIInChI=1S/C9H16F3N/c1-7(2)6-8(13-3)4-5-9(10,11)12/h8,13H,1,4-6H2,2-3H3
InChIKeyMNYFFAHZGHRNBX-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds5

About 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine

7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine (PubChem CID 79952584) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine
PubChem CID79952584
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine
SMILESC=C(C)CC(CCC(F)(F)F)NC
InChIInChI=1S/C9H16F3N/c1-7(2)6-8(13-3)4-5-9(10,11)12/h8,13H,1,4-6H2,2-3H3
InChIKeyMNYFFAHZGHRNBX-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
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 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine?
The IUPAC name of 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine (CID 79952584) is 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine.
What is the SMILES notation for 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine?
The canonical SMILES for 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine is C=C(C)CC(CCC(F)(F)F)NC.
What is the InChIKey of 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine?
The InChIKey is MNYFFAHZGHRNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(2)6-8(13-3)4-5-9(10,11)12/h8,13H,1,4-6H2,2-3H3.
What are the key properties of 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine?
7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-N,2-dimethylhept-1-en-4-amine is sourced from PubChem (CID 79952584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).