difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one

C13H21F8NO — CID 90986838

IUPACdifluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one
SMILESCC(CC(F)(F)C(F)(F)F)N1CCCC1=O.CCCF.FCF
InChIInChI=1S/C9H12F5NO.C3H7F.CH2F2/c1-6(15-4-2-3-7(15)16)5-8(10,11)9(12,13)14;1-2-3-4;2-1-3/h6H,2-5H2,1H3;2-3H2,1H3;1H2
InChIKeyJHVUWBKPPKXMFG-UHFFFAOYSA-N
MW359.30 g/mol
LogP4.83
Rot. Bonds4

About difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one

difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one (PubChem CID 90986838) has the molecular formula C13H21F8NO and a molecular weight of 359.30 g/mol. Its IUPAC name is difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Namedifluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one
PubChem CID90986838
Molecular FormulaC13H21F8NO
Molecular Weight359.30 g/mol
Exact Mass359.15
IUPAC Namedifluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one
SMILESCC(CC(F)(F)C(F)(F)F)N1CCCC1=O.CCCF.FCF
InChIInChI=1S/C9H12F5NO.C3H7F.CH2F2/c1-6(15-4-2-3-7(15)16)5-8(10,11)9(12,13)14;1-2-3-4;2-1-3/h6H,2-5H2,1H3;2-3H2,1H3;1H2
InChIKeyJHVUWBKPPKXMFG-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one?
The IUPAC name of difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one (CID 90986838) is difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one?
The canonical SMILES for difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one is CC(CC(F)(F)C(F)(F)F)N1CCCC1=O.CCCF.FCF.
What is the InChIKey of difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one?
The InChIKey is JHVUWBKPPKXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO.C3H7F.CH2F2/c1-6(15-4-2-3-7(15)16)5-8(10,11)9(12,13)14;1-2-3-4;2-1-3/h6H,2-5H2,1H3;2-3H2,1H3;1H2.
What are the key properties of difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one?
difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one has a molecular weight of 359.30 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;1-fluoropropane;1-(4,4,5,5,5-pentafluoropentan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 90986838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).