methyl 6-(carbonofluoridoylamino)hexanoate

C8H14FNO3 — CID 59079205

IUPACmethyl 6-(carbonofluoridoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)F
InChIInChI=1S/C8H14FNO3/c1-13-7(11)5-3-2-4-6-10-8(9)12/h2-6H2,1H3,(H,10,12)
InChIKeyQPBDYMKDTDJHSC-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.40
Rot. Bonds6

About methyl 6-(carbonofluoridoylamino)hexanoate

methyl 6-(carbonofluoridoylamino)hexanoate (PubChem CID 59079205) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is methyl 6-(carbonofluoridoylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(carbonofluoridoylamino)hexanoate
PubChem CID59079205
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Namemethyl 6-(carbonofluoridoylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)F
InChIInChI=1S/C8H14FNO3/c1-13-7(11)5-3-2-4-6-10-8(9)12/h2-6H2,1H3,(H,10,12)
InChIKeyQPBDYMKDTDJHSC-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
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 methyl 6-(carbonofluoridoylamino)hexanoate?
The IUPAC name of methyl 6-(carbonofluoridoylamino)hexanoate (CID 59079205) is methyl 6-(carbonofluoridoylamino)hexanoate.
What is the SMILES notation for methyl 6-(carbonofluoridoylamino)hexanoate?
The canonical SMILES for methyl 6-(carbonofluoridoylamino)hexanoate is COC(=O)CCCCCNC(=O)F.
What is the InChIKey of methyl 6-(carbonofluoridoylamino)hexanoate?
The InChIKey is QPBDYMKDTDJHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-13-7(11)5-3-2-4-6-10-8(9)12/h2-6H2,1H3,(H,10,12).
What are the key properties of methyl 6-(carbonofluoridoylamino)hexanoate?
methyl 6-(carbonofluoridoylamino)hexanoate has a molecular weight of 191.20 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(carbonofluoridoylamino)hexanoate is sourced from PubChem (CID 59079205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).