N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide

C10H9F9N2O2 — CID 549839

IUPACN-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C1NCCCC1(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C10H9F9N2O2/c11-4(12)7(2-1-3-20-5(7)22)21-6(23)8(13,14)9(15,16)10(17,18)19/h4H,1-3H2,(H,20,22)(H,21,23)
InChIKeyQPSMVFTZLSABDD-UHFFFAOYSA-N
MW360.18 g/mol
LogP1.85
Rot. Bonds4

About N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 549839) has the molecular formula C10H9F9N2O2 and a molecular weight of 360.18 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID549839
Molecular FormulaC10H9F9N2O2
Molecular Weight360.18 g/mol
Exact Mass360.05
IUPAC NameN-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C1NCCCC1(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)F
InChIInChI=1S/C10H9F9N2O2/c11-4(12)7(2-1-3-20-5(7)22)21-6(23)8(13,14)9(15,16)10(17,18)19/h4H,1-3H2,(H,20,22)(H,21,23)
InChIKeyQPSMVFTZLSABDD-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]piperidine-3-carboxamide
CID 2911644
2-Piperidinone, 3-amino-3-(difluoromethyl)-
CID 574631
3-Methyl-3-propylpiperazin-2-one
CID 54773632
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]acetamide
CID 53522452
Propanamide, N-[3-(difluoromethyl)-2-oxo-3-piperidyl]-2,2,3,3,3-pentafluoro-
CID 533937
3-Amino-3-fluoromethyl-2-piperidone
CID 14231037
tert-Butyl 2-oxo-3-(trifluoromethyl)piperidin-3-ylcarbamate
CID 15817296
2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449279
3-Amino-3-(difluoromethyl)piperidin-2-one;hydrochloride
CID 19966328
Actinium;[3-methyl-2-oxo-4-(trifluoromethyl)piperidin-3-yl]azanide
CID 22946550
2,5-diamino-N-butyl-2-(trifluoromethyl)pentanamide
CID 53753833
1-(2-Oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one
CID 67034642

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 549839) is N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide is O=C1NCCCC1(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)F.
What is the InChIKey of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is QPSMVFTZLSABDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F9N2O2/c11-4(12)7(2-1-3-20-5(7)22)21-6(23)8(13,14)9(15,16)10(17,18)19/h4H,1-3H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 360.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-2-oxopiperidin-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 549839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).