1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine

C4H6F5NO — CID 159740504

IUPAC1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine
SMILESCOC(F)(C(N)F)C(F)(F)F
InChIInChI=1S/C4H6F5NO/c1-11-3(6,2(5)10)4(7,8)9/h2H,10H2,1H3
InChIKeyZAVSTYKMBQAKSU-UHFFFAOYSA-N
MW179.09 g/mol
LogP1.12
Rot. Bonds2

About 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine

1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine (PubChem CID 159740504) has the molecular formula C4H6F5NO and a molecular weight of 179.09 g/mol. Its IUPAC name is 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine
PubChem CID159740504
Molecular FormulaC4H6F5NO
Molecular Weight179.09 g/mol
Exact Mass179.04
IUPAC Name1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine
SMILESCOC(F)(C(N)F)C(F)(F)F
InChIInChI=1S/C4H6F5NO/c1-11-3(6,2(5)10)4(7,8)9/h2H,10H2,1H3
InChIKeyZAVSTYKMBQAKSU-UHFFFAOYSA-N
XLogP1.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine?
The IUPAC name of 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine (CID 159740504) is 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine.
What is the SMILES notation for 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine?
The canonical SMILES for 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine is COC(F)(C(N)F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine?
The InChIKey is ZAVSTYKMBQAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F5NO/c1-11-3(6,2(5)10)4(7,8)9/h2H,10H2,1H3.
What are the key properties of 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine?
1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine has a molecular weight of 179.09 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,3-pentafluoro-2-methoxypropan-1-amine is sourced from PubChem (CID 159740504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).