1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine

C8H13F6N — CID 22348872

IUPAC1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine
SMILESCC(C)CCC(N)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F6N/c1-5(2)3-4-6(9,15)7(10,11)8(12,13)14/h5H,3-4,15H2,1-2H3
InChIKeyFKLSVRYWTYOHLT-UHFFFAOYSA-N
MW237.19 g/mol
LogP3.24
Rot. Bonds4

About 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine

1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine (PubChem CID 22348872) has the molecular formula C8H13F6N and a molecular weight of 237.19 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine
PubChem CID22348872
Molecular FormulaC8H13F6N
Molecular Weight237.19 g/mol
Exact Mass237.10
IUPAC Name1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine
SMILESCC(C)CCC(N)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F6N/c1-5(2)3-4-6(9,15)7(10,11)8(12,13)14/h5H,3-4,15H2,1-2H3
InChIKeyFKLSVRYWTYOHLT-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine?
The IUPAC name of 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine (CID 22348872) is 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine?
The canonical SMILES for 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine is CC(C)CCC(N)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine?
The InChIKey is FKLSVRYWTYOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N/c1-5(2)3-4-6(9,15)7(10,11)8(12,13)14/h5H,3-4,15H2,1-2H3.
What are the key properties of 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine?
1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine has a molecular weight of 237.19 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine is sourced from PubChem (CID 22348872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).