7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine

C11H20F3N — CID 79598859

IUPAC7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine
SMILESCCCNCCC=C(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3N/c1-3-8-15-9-4-5-10(2)6-7-11(12,13)14/h5,15H,3-4,6-9H2,1-2H3
InChIKeyBCLBHQZHAMJNKQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.66
Rot. Bonds7

About 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine

7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine (PubChem CID 79598859) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine
PubChem CID79598859
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine
SMILESCCCNCCC=C(C)CCC(F)(F)F
InChIInChI=1S/C11H20F3N/c1-3-8-15-9-4-5-10(2)6-7-11(12,13)14/h5,15H,3-4,6-9H2,1-2H3
InChIKeyBCLBHQZHAMJNKQ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine?
The IUPAC name of 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine (CID 79598859) is 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine.
What is the SMILES notation for 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine?
The canonical SMILES for 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine is CCCNCCC=C(C)CCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine?
The InChIKey is BCLBHQZHAMJNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-3-8-15-9-4-5-10(2)6-7-11(12,13)14/h5,15H,3-4,6-9H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine?
7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-4-methyl-N-propylhept-3-en-1-amine is sourced from PubChem (CID 79598859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).