N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride

C14H26F2N2O5 — CID 162693441

IUPACN-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride
SMILESCC(COCC(C)OCCOCC(C)NC(=O)CF)NC(=O)F
InChIInChI=1S/C14H26F2N2O5/c1-10(17-13(19)6-15)7-21-4-5-23-12(3)9-22-8-11(2)18-14(16)20/h10-12H,4-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVZMDNUYEZAKCLU-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.97
Rot. Bonds13

About N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride

N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride (PubChem CID 162693441) has the molecular formula C14H26F2N2O5 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride
PubChem CID162693441
Molecular FormulaC14H26F2N2O5
Molecular Weight340.37 g/mol
Exact Mass340.18
IUPAC NameN-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride
SMILESCC(COCC(C)OCCOCC(C)NC(=O)CF)NC(=O)F
InChIInChI=1S/C14H26F2N2O5/c1-10(17-13(19)6-15)7-21-4-5-23-12(3)9-22-8-11(2)18-14(16)20/h10-12H,4-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVZMDNUYEZAKCLU-UHFFFAOYSA-N
XLogP0.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride?
The IUPAC name of N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride (CID 162693441) is N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride.
What is the SMILES notation for N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride?
The canonical SMILES for N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride is CC(COCC(C)OCCOCC(C)NC(=O)CF)NC(=O)F.
What is the InChIKey of N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride?
The InChIKey is VZMDNUYEZAKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O5/c1-10(17-13(19)6-15)7-21-4-5-23-12(3)9-22-8-11(2)18-14(16)20/h10-12H,4-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride?
N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride has a molecular weight of 340.37 g/mol, XLogP of 0.97, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-[2-[(2-fluoroacetyl)amino]propoxy]ethoxy]propoxy]propan-2-yl]carbamoyl fluoride is sourced from PubChem (CID 162693441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).