2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate

C9H7F10NO3 — CID 91730501

IUPAC2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCN(CCOC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F10NO3/c1-20(4(21)6(10,11)8(14,15)16)2-3-23-5(22)7(12,13)9(17,18)19/h2-3H2,1H3
InChIKeyDJKQTGZALWJGAD-UHFFFAOYSA-N
MW367.14 g/mol
LogP2.38
Rot. Bonds5

About 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate

2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91730501) has the molecular formula C9H7F10NO3 and a molecular weight of 367.14 g/mol. Its IUPAC name is 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91730501
Molecular FormulaC9H7F10NO3
Molecular Weight367.14 g/mol
Exact Mass367.03
IUPAC Name2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCN(CCOC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H7F10NO3/c1-20(4(21)6(10,11)8(14,15)16)2-3-23-5(22)7(12,13)9(17,18)19/h2-3H2,1H3
InChIKeyDJKQTGZALWJGAD-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 605274
CID 605274
CID 13743419
CID 13743419
CID 91712837
CID 91712837
CID 91730512
CID 91730512
CID 91730517
CID 91730517
CID 91737613
CID 91737613
CID 91737617
CID 91737617
CID 91737646
CID 91737646
CID 57824068
CID 57824068
CID 88327225
CID 88327225
CID 91738534
CID 91738534
CID 587635
CID 587635

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91730501) is 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate is CN(CCOC(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is DJKQTGZALWJGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F10NO3/c1-20(4(21)6(10,11)8(14,15)16)2-3-23-5(22)7(12,13)9(17,18)19/h2-3H2,1H3.
What are the key properties of 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 367.14 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91730501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).