2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine

C8H15F4NO — CID 158746367

IUPAC2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCC(F)(F)CC(C)(F)F
InChIInChI=1S/C8H15F4NO/c1-7(9,10)5-8(11,12)6-13-3-4-14-2/h13H,3-6H2,1-2H3
InChIKeyVKKBPLYSPOTMOQ-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.90
Rot. Bonds7

About 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine

2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 158746367) has the molecular formula C8H15F4NO and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine
PubChem CID158746367
Molecular FormulaC8H15F4NO
Molecular Weight217.21 g/mol
Exact Mass217.11
IUPAC Name2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCC(F)(F)CC(C)(F)F
InChIInChI=1S/C8H15F4NO/c1-7(9,10)5-8(11,12)6-13-3-4-14-2/h13H,3-6H2,1-2H3
InChIKeyVKKBPLYSPOTMOQ-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine (CID 158746367) is 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine is COCCNCC(F)(F)CC(C)(F)F.
What is the InChIKey of 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is VKKBPLYSPOTMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NO/c1-7(9,10)5-8(11,12)6-13-3-4-14-2/h13H,3-6H2,1-2H3.
What are the key properties of 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine?
2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 217.21 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 158746367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).