N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride

C9H17FN2O2 — CID 170654538

IUPACN-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride
SMILESCNC(CCCCNC(=O)F)C(C)=O
InChIInChI=1S/C9H17FN2O2/c1-7(13)8(11-2)5-3-4-6-12-9(10)14/h8,11H,3-6H2,1-2H3,(H,12,14)
InChIKeyDRYPLCLNHMILBI-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.01
Rot. Bonds7

About N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride

N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride (PubChem CID 170654538) has the molecular formula C9H17FN2O2 and a molecular weight of 204.24 g/mol. Its IUPAC name is N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride
PubChem CID170654538
Molecular FormulaC9H17FN2O2
Molecular Weight204.24 g/mol
Exact Mass204.13
IUPAC NameN-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride
SMILESCNC(CCCCNC(=O)F)C(C)=O
InChIInChI=1S/C9H17FN2O2/c1-7(13)8(11-2)5-3-4-6-12-9(10)14/h8,11H,3-6H2,1-2H3,(H,12,14)
InChIKeyDRYPLCLNHMILBI-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride?
The IUPAC name of N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride (CID 170654538) is N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride.
What is the SMILES notation for N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride?
The canonical SMILES for N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride is CNC(CCCCNC(=O)F)C(C)=O.
What is the InChIKey of N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride?
The InChIKey is DRYPLCLNHMILBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2/c1-7(13)8(11-2)5-3-4-6-12-9(10)14/h8,11H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride?
N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride has a molecular weight of 204.24 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methylamino)-6-oxoheptyl]carbamoyl fluoride is sourced from PubChem (CID 170654538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).