4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one

C8H10F4N2O2 — CID 103733449

IUPAC4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)C(F)(F)C(F)F)CCCN1
InChIInChI=1S/C8H10F4N2O2/c9-6(10)8(11,12)7(16)14-3-1-2-13-5(15)4-14/h6H,1-4H2,(H,13,15)
InChIKeyUCPYXVVZMWHBRM-UHFFFAOYSA-N
MW242.17 g/mol
LogP0.24
Rot. Bonds2

About 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one

4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one (PubChem CID 103733449) has the molecular formula C8H10F4N2O2 and a molecular weight of 242.17 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one
PubChem CID103733449
Molecular FormulaC8H10F4N2O2
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one
SMILESO=C1CN(C(=O)C(F)(F)C(F)F)CCCN1
InChIInChI=1S/C8H10F4N2O2/c9-6(10)8(11,12)7(16)14-3-1-2-13-5(15)4-14/h6H,1-4H2,(H,13,15)
InChIKeyUCPYXVVZMWHBRM-UHFFFAOYSA-N
XLogP0.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,2-trifluoroacetyl)piperazin-2-one
CID 62733743
4-(2,2-dimethylbutanoyl)-1,4-diazepan-2-one
CID 62897191
4-(2-chloroprop-2-enoyl)-1,4-diazepan-2-one
CID 130856183
4-(4-aminocyclohexanecarbonyl)-1,4-diazepan-2-one
CID 65366220
4-(3-aminobutanoyl)-1,4-diazepan-2-one
CID 65366461
ethyl 3-oxo-1,4-diazepane-1-carboxylate
CID 62897975
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 65366224
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-2-one
CID 62897940
3-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-1-carboxamide
CID 119064997
4-pentanoyl-1,4-diazepan-2-one
CID 62898703

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one (CID 103733449) is 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one is O=C1CN(C(=O)C(F)(F)C(F)F)CCCN1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one?
The InChIKey is UCPYXVVZMWHBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O2/c9-6(10)8(11,12)7(16)14-3-1-2-13-5(15)4-14/h6H,1-4H2,(H,13,15).
What are the key properties of 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one?
4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one has a molecular weight of 242.17 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 103733449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).