2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid

C15H32F2N2O3 — CID 144913933

IUPAC2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
SMILESCC.CCC(C)(F)F.CC[C@@H]1CNCCN1C(C)=O.O=CO
InChIInChI=1S/C8H16N2O.C4H8F2.C2H6.CH2O2/c1-3-8-6-9-4-5-10(8)7(2)11;1-3-4(2,5)6;1-2;2-1-3/h8-9H,3-6H2,1-2H3;3H2,1-2H3;1-2H3;1H,(H,2,3)/t8-;;;/m1.../s1
InChIKeyHHTVRWBDQFUPTJ-VFIYQRISSA-N
MW326.43 g/mol
LogP3.00
Rot. Bonds2

About 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid

2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid (PubChem CID 144913933) has the molecular formula C15H32F2N2O3 and a molecular weight of 326.43 g/mol. Its IUPAC name is 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid.

Molecular Properties

Compound Name2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
PubChem CID144913933
Molecular FormulaC15H32F2N2O3
Molecular Weight326.43 g/mol
Exact Mass326.24
IUPAC Name2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
SMILESCC.CCC(C)(F)F.CC[C@@H]1CNCCN1C(C)=O.O=CO
InChIInChI=1S/C8H16N2O.C4H8F2.C2H6.CH2O2/c1-3-8-6-9-4-5-10(8)7(2)11;1-3-4(2,5)6;1-2;2-1-3/h8-9H,3-6H2,1-2H3;3H2,1-2H3;1-2H3;1H,(H,2,3)/t8-;;;/m1.../s1
InChIKeyHHTVRWBDQFUPTJ-VFIYQRISSA-N
XLogP3.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid 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

1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
CID 163271521
tert-butyl 2-(2-oxoethyl)piperazine-1-carboxylate
CID 156743978
tert-butyl (2R)-2-(methylsulfonylmethyl)piperazine-1-carboxylate
CID 164740203
tert-butyl 2-(2,2-difluoroethyl)piperazine-1-carboxylate
CID 84707228
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one;molecular hydrogen
CID 163271520
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
acetic acid;azane;1,2-diethylpiperazine
CID 174720092

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid?
The IUPAC name of 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid (CID 144913933) is 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid.
What is the SMILES notation for 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid?
The canonical SMILES for 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid is CC.CCC(C)(F)F.CC[C@@H]1CNCCN1C(C)=O.O=CO.
What is the InChIKey of 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid?
The InChIKey is HHTVRWBDQFUPTJ-VFIYQRISSA-N. The full InChI is InChI=1S/C8H16N2O.C4H8F2.C2H6.CH2O2/c1-3-8-6-9-4-5-10(8)7(2)11;1-3-4(2,5)6;1-2;2-1-3/h8-9H,3-6H2,1-2H3;3H2,1-2H3;1-2H3;1H,(H,2,3)/t8-;;;/m1.../s1.
What are the key properties of 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid?
2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid has a molecular weight of 326.43 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid is sourced from PubChem (CID 144913933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).