1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine

C10H17F6N — CID 116536134

IUPAC1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)(CCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6N/c1-3-7-17-8(2,10(14,15)16)5-4-6-9(11,12)13/h17H,3-7H2,1-2H3
InChIKeyDGJDICRDDDZXIU-UHFFFAOYSA-N
MW265.24 g/mol
LogP4.04
Rot. Bonds6

About 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine

1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine (PubChem CID 116536134) has the molecular formula C10H17F6N and a molecular weight of 265.24 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine
PubChem CID116536134
Molecular FormulaC10H17F6N
Molecular Weight265.24 g/mol
Exact Mass265.13
IUPAC Name1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine
SMILESCCCNC(C)(CCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6N/c1-3-7-17-8(2,10(14,15)16)5-4-6-9(11,12)13/h17H,3-7H2,1-2H3
InChIKeyDGJDICRDDDZXIU-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine?
The IUPAC name of 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine (CID 116536134) is 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine is CCCNC(C)(CCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine?
The InChIKey is DGJDICRDDDZXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6N/c1-3-7-17-8(2,10(14,15)16)5-4-6-9(11,12)13/h17H,3-7H2,1-2H3.
What are the key properties of 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine?
1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine has a molecular weight of 265.24 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluoro-2-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 116536134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).