3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine

C10H15F8N — CID 88604469

IUPAC3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine
SMILESCCC(F)(NC)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H15F8N/c1-5-8(13,19-4)6(2,11)9(14,15)7(3,12)10(16,17)18/h19H,5H2,1-4H3
InChIKeyJIBIGPKHCCCXBS-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.94
Rot. Bonds5

About 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine

3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine (PubChem CID 88604469) has the molecular formula C10H15F8N and a molecular weight of 301.22 g/mol. Its IUPAC name is 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine.

Molecular Properties

Compound Name3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine
PubChem CID88604469
Molecular FormulaC10H15F8N
Molecular Weight301.22 g/mol
Exact Mass301.11
IUPAC Name3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine
SMILESCCC(F)(NC)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F
InChIInChI=1S/C10H15F8N/c1-5-8(13,19-4)6(2,11)9(14,15)7(3,12)10(16,17)18/h19H,5H2,1-4H3
InChIKeyJIBIGPKHCCCXBS-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine?
The IUPAC name of 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine (CID 88604469) is 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine.
What is the SMILES notation for 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine?
The canonical SMILES for 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine is CCC(F)(NC)C(C)(F)C(F)(F)C(C)(F)C(F)(F)F.
What is the InChIKey of 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine?
The InChIKey is JIBIGPKHCCCXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F8N/c1-5-8(13,19-4)6(2,11)9(14,15)7(3,12)10(16,17)18/h19H,5H2,1-4H3.
What are the key properties of 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine?
3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine has a molecular weight of 301.22 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5,6,7,7,7-octafluoro-N,4,6-trimethylheptan-3-amine is sourced from PubChem (CID 88604469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).