1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine

C6H9F6NO — CID 167116988

IUPAC1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
SMILESCOC(CC(N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h3-4H,2,13H2,1H3
InChIKeyRPIPUMIYQAJJBU-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.84
Rot. Bonds3

About 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine

1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine (PubChem CID 167116988) has the molecular formula C6H9F6NO and a molecular weight of 225.13 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
PubChem CID167116988
Molecular FormulaC6H9F6NO
Molecular Weight225.13 g/mol
Exact Mass225.06
IUPAC Name1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
SMILESCOC(CC(N)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h3-4H,2,13H2,1H3
InChIKeyRPIPUMIYQAJJBU-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine (CID 167116988) is 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine is COC(CC(N)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
The InChIKey is RPIPUMIYQAJJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO/c1-14-4(6(10,11)12)2-3(13)5(7,8)9/h3-4H,2,13H2,1H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine has a molecular weight of 225.13 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine is sourced from PubChem (CID 167116988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).