7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine

C11H21F2N — CID 90844073

IUPAC7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine
SMILESCNCC(C)(C)CCC=CC(C)(F)F
InChIInChI=1S/C11H21F2N/c1-10(2,9-14-4)7-5-6-8-11(3,12)13/h6,8,14H,5,7,9H2,1-4H3
InChIKeyQAAFMZKMTREIAB-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.22
Rot. Bonds6

About 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine

7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine (PubChem CID 90844073) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine.

Molecular Properties

Compound Name7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine
PubChem CID90844073
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine
SMILESCNCC(C)(C)CCC=CC(C)(F)F
InChIInChI=1S/C11H21F2N/c1-10(2,9-14-4)7-5-6-8-11(3,12)13/h6,8,14H,5,7,9H2,1-4H3
InChIKeyQAAFMZKMTREIAB-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.22
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-difluoro-N,2,2-trimethyloct-5-en-1-amine?
The IUPAC name of 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine (CID 90844073) is 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine.
What is the SMILES notation for 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine?
The canonical SMILES for 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine is CNCC(C)(C)CCC=CC(C)(F)F.
What is the InChIKey of 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine?
The InChIKey is QAAFMZKMTREIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2,9-14-4)7-5-6-8-11(3,12)13/h6,8,14H,5,7,9H2,1-4H3.
What are the key properties of 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine?
7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-N,2,2-trimethyloct-5-en-1-amine is sourced from PubChem (CID 90844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).