(2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine

C6H9F6NO — CID 164536517

IUPAC(2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
SMILESCOC(C[C@H](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/t3-,4?/m0/s1
InChIKeyRPIPUMIYQAJJBU-WUCPZUCCSA-N
MW225.13 g/mol
LogP1.84
Rot. Bonds3

About (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine

(2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine (PubChem CID 164536517) has the molecular formula C6H9F6NO and a molecular weight of 225.13 g/mol. Its IUPAC name is (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
PubChem CID164536517
Molecular FormulaC6H9F6NO
Molecular Weight225.13 g/mol
Exact Mass225.06
IUPAC Name(2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
SMILESCOC(C[C@H](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/t3-,4?/m0/s1
InChIKeyRPIPUMIYQAJJBU-WUCPZUCCSA-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 (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
The IUPAC name of (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine (CID 164536517) is (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine.
What is the SMILES notation for (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
The canonical SMILES for (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine is COC(C[C@H](N)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
The InChIKey is RPIPUMIYQAJJBU-WUCPZUCCSA-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/t3-,4?/m0/s1.
What are the key properties of (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine?
(2S)-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 (2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine is sourced from PubChem (CID 164536517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).