(Z)-7-amino-6-fluorohept-5-enoic acid

C7H12FNO2 — CID 142092288

IUPAC(Z)-7-amino-6-fluorohept-5-enoic acid
SMILESNC/C(F)=C/CCCC(=O)O
InChIInChI=1S/C7H12FNO2/c8-6(5-9)3-1-2-4-7(10)11/h3H,1-2,4-5,9H2,(H,10,11)/b6-3-
InChIKeyQXNDQLCDZUVLEC-UTCJRWHESA-N
MW161.18 g/mol
LogP1.05
Rot. Bonds5

About (Z)-7-amino-6-fluorohept-5-enoic acid

(Z)-7-amino-6-fluorohept-5-enoic acid (PubChem CID 142092288) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (Z)-7-amino-6-fluorohept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-amino-6-fluorohept-5-enoic acid
PubChem CID142092288
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(Z)-7-amino-6-fluorohept-5-enoic acid
SMILESNC/C(F)=C/CCCC(=O)O
InChIInChI=1S/C7H12FNO2/c8-6(5-9)3-1-2-4-7(10)11/h3H,1-2,4-5,9H2,(H,10,11)/b6-3-
InChIKeyQXNDQLCDZUVLEC-UTCJRWHESA-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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-amino-6-fluorohept-5-enoic acid?
The IUPAC name of (Z)-7-amino-6-fluorohept-5-enoic acid (CID 142092288) is (Z)-7-amino-6-fluorohept-5-enoic acid.
What is the SMILES notation for (Z)-7-amino-6-fluorohept-5-enoic acid?
The canonical SMILES for (Z)-7-amino-6-fluorohept-5-enoic acid is NC/C(F)=C/CCCC(=O)O.
What is the InChIKey of (Z)-7-amino-6-fluorohept-5-enoic acid?
The InChIKey is QXNDQLCDZUVLEC-UTCJRWHESA-N. The full InChI is InChI=1S/C7H12FNO2/c8-6(5-9)3-1-2-4-7(10)11/h3H,1-2,4-5,9H2,(H,10,11)/b6-3-.
What are the key properties of (Z)-7-amino-6-fluorohept-5-enoic acid?
(Z)-7-amino-6-fluorohept-5-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 (Z)-7-amino-6-fluorohept-5-enoic acid is sourced from PubChem (CID 142092288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).