N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate

C10H17F4NO3 — CID 157368354

IUPACN,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate
SMILESCCN(CC)CC.O=C(OC(=O)C(F)F)C(F)F
InChIInChI=1S/C6H15N.C4H2F4O3/c1-4-7(5-2)6-3;5-1(6)3(9)11-4(10)2(7)8/h4-6H2,1-3H3;1-2H
InChIKeyBJLMLQVLAXZEIQ-UHFFFAOYSA-N
MW275.24 g/mol
LogP1.93
Rot. Bonds5

About N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate

N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate (PubChem CID 157368354) has the molecular formula C10H17F4NO3 and a molecular weight of 275.24 g/mol. Its IUPAC name is N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate.

Molecular Properties

Compound NameN,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate
PubChem CID157368354
Molecular FormulaC10H17F4NO3
Molecular Weight275.24 g/mol
Exact Mass275.11
IUPAC NameN,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate
SMILESCCN(CC)CC.O=C(OC(=O)C(F)F)C(F)F
InChIInChI=1S/C6H15N.C4H2F4O3/c1-4-7(5-2)6-3;5-1(6)3(9)11-4(10)2(7)8/h4-6H2,1-3H3;1-2H
InChIKeyBJLMLQVLAXZEIQ-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate 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

acetyl acetate;(2,2-difluoroacetyl) 2,2-difluoroacetate
CID 138487965
N,N-diethylethanamine;ethyl methyl carbonate
CID 175445497
N,N-diethylethanamine;hypofluorous acid
CID 157218487
bis(N,N-diethylethanamine);oxalic acid
CID 71339505
sodium;1,1-dideuterio-2,2-difluoroethanol;(2,2-difluoroacetyl) 2,2-difluoroacetate;ethoxyethane;tetradeuterioboranuide
CID 163599695
ethyl 2,2-difluoroacetate;2-fluorobutanoic acid
CID 175869264
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
2-fluoropropanoyl 2-fluoropropanoate
CID 57174610
N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine;propan-2-amine
CID 19095085
N,N-diethylethanamine;hydroxylamine;methanol;hydrochloride
CID 173254877
N,N-diethylethanamine;2,2,2-trifluoroacetic acid;hydrate
CID 175431120

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate?
The IUPAC name of N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate (CID 157368354) is N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate.
What is the SMILES notation for N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate?
The canonical SMILES for N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate is CCN(CC)CC.O=C(OC(=O)C(F)F)C(F)F.
What is the InChIKey of N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate?
The InChIKey is BJLMLQVLAXZEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H2F4O3/c1-4-7(5-2)6-3;5-1(6)3(9)11-4(10)2(7)8/h4-6H2,1-3H3;1-2H.
What are the key properties of N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate?
N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate has a molecular weight of 275.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;(2,2-difluoroacetyl) 2,2-difluoroacetate is sourced from PubChem (CID 157368354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).