(E)-7-amino-2-fluorohept-2-enoic acid

C7H12FNO2 — CID 25028651

IUPAC(E)-7-amino-2-fluorohept-2-enoic acid
SMILESNCCCC/C=C(/F)C(=O)O
InChIInChI=1S/C7H12FNO2/c8-6(7(10)11)4-2-1-3-5-9/h4H,1-3,5,9H2,(H,10,11)/b6-4+
InChIKeyUUJZNZXJBGXHOE-GQCTYLIASA-N
MW161.18 g/mol
LogP1.05
Rot. Bonds5

About (E)-7-amino-2-fluorohept-2-enoic acid

(E)-7-amino-2-fluorohept-2-enoic acid (PubChem CID 25028651) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (E)-7-amino-2-fluorohept-2-enoic acid.

Molecular Properties

Compound Name(E)-7-amino-2-fluorohept-2-enoic acid
PubChem CID25028651
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(E)-7-amino-2-fluorohept-2-enoic acid
SMILESNCCCC/C=C(/F)C(=O)O
InChIInChI=1S/C7H12FNO2/c8-6(7(10)11)4-2-1-3-5-9/h4H,1-3,5,9H2,(H,10,11)/b6-4+
InChIKeyUUJZNZXJBGXHOE-GQCTYLIASA-N
XLogP1.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.05
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 (E)-7-amino-2-fluorohept-2-enoic acid?
The IUPAC name of (E)-7-amino-2-fluorohept-2-enoic acid (CID 25028651) is (E)-7-amino-2-fluorohept-2-enoic acid.
What is the SMILES notation for (E)-7-amino-2-fluorohept-2-enoic acid?
The canonical SMILES for (E)-7-amino-2-fluorohept-2-enoic acid is NCCCC/C=C(/F)C(=O)O.
What is the InChIKey of (E)-7-amino-2-fluorohept-2-enoic acid?
The InChIKey is UUJZNZXJBGXHOE-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12FNO2/c8-6(7(10)11)4-2-1-3-5-9/h4H,1-3,5,9H2,(H,10,11)/b6-4+.
What are the key properties of (E)-7-amino-2-fluorohept-2-enoic acid?
(E)-7-amino-2-fluorohept-2-enoic acid has a molecular weight of 161.18 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-amino-2-fluorohept-2-enoic acid is sourced from PubChem (CID 25028651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).