2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide

C9H15F4NO3 — CID 103731888

IUPAC2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO3/c1-16-5-3-14(4-6-17-2)8(15)9(12,13)7(10)11/h7H,3-6H2,1-2H3
InChIKeyPVCSOYFQGYHXHL-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.01
Rot. Bonds8

About 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide

2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide (PubChem CID 103731888) has the molecular formula C9H15F4NO3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide
PubChem CID103731888
Molecular FormulaC9H15F4NO3
Molecular Weight261.21 g/mol
Exact Mass261.10
IUPAC Name2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide
SMILESCOCCN(CCOC)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO3/c1-16-5-3-14(4-6-17-2)8(15)9(12,13)7(10)11/h7H,3-6H2,1-2H3
InChIKeyPVCSOYFQGYHXHL-UHFFFAOYSA-N
XLogP1.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide (CID 103731888) is 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide is COCCN(CCOC)C(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide?
The InChIKey is PVCSOYFQGYHXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO3/c1-16-5-3-14(4-6-17-2)8(15)9(12,13)7(10)11/h7H,3-6H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide?
2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide has a molecular weight of 261.21 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide is sourced from PubChem (CID 103731888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).