6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid

C10H16FNO3 — CID 139457951

IUPAC6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid
SMILESC=C(CF)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H16FNO3/c1-8(7-11)10(15)12-6-4-2-3-5-9(13)14/h1-7H2,(H,12,15)(H,13,14)
InChIKeyLQFGZEDRRYBBGA-UHFFFAOYSA-N
MW217.24 g/mol
LogP1.27
Rot. Bonds8

About 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid

6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid (PubChem CID 139457951) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid
PubChem CID139457951
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid
SMILESC=C(CF)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H16FNO3/c1-8(7-11)10(15)12-6-4-2-3-5-9(13)14/h1-7H2,(H,12,15)(H,13,14)
InChIKeyLQFGZEDRRYBBGA-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid?
The IUPAC name of 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid (CID 139457951) is 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid.
What is the SMILES notation for 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid?
The canonical SMILES for 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid is C=C(CF)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid?
The InChIKey is LQFGZEDRRYBBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-8(7-11)10(15)12-6-4-2-3-5-9(13)14/h1-7H2,(H,12,15)(H,13,14).
What are the key properties of 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid?
6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid has a molecular weight of 217.24 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)prop-2-enoylamino]hexanoic acid is sourced from PubChem (CID 139457951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).