1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine

C6H7F8NO — CID 541711

IUPAC1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCON(C)C(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F8NO/c1-15(16-2)6(13,14)3(4(7,8)9)5(10,11)12/h3H,1-2H3
InChIKeyOYLJZOHEISBXJX-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.81
Rot. Bonds3

About 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine

1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 541711) has the molecular formula C6H7F8NO and a molecular weight of 261.11 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID541711
Molecular FormulaC6H7F8NO
Molecular Weight261.11 g/mol
Exact Mass261.04
IUPAC Name1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCON(C)C(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F8NO/c1-15(16-2)6(13,14)3(4(7,8)9)5(10,11)12/h3H,1-2H3
InChIKeyOYLJZOHEISBXJX-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 541711) is 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine is CON(C)C(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is OYLJZOHEISBXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F8NO/c1-15(16-2)6(13,14)3(4(7,8)9)5(10,11)12/h3H,1-2H3.
What are the key properties of 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine?
1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 261.11 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 541711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).