[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium

C7H13FNO2+ — CID 59498631

IUPAC[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium
SMILES[NH3+]CCCC/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)/p+1/b6-4-
InChIKeyUUJZNZXJBGXHOE-XQRVVYSFSA-O
MW162.18 g/mol
LogP0.34
Rot. Bonds5

About [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium

[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium (PubChem CID 59498631) has the molecular formula C7H13FNO2+ and a molecular weight of 162.18 g/mol. Its IUPAC name is [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium.

Molecular Properties

Compound Name[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium
PubChem CID59498631
Molecular FormulaC7H13FNO2+
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium
SMILES[NH3+]CCCC/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)/p+1/b6-4-
InChIKeyUUJZNZXJBGXHOE-XQRVVYSFSA-O
XLogP0.34
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Related Compounds

6-Aminohex-2-enoic acid
CID 54314226
(Z)-7-amino-2-fluorohept-2-enoic acid
CID 24864124
(E)-6-amino-2-fluorohex-2-enoic acid
CID 25028647
(Z)-6-amino-2-fluorohex-2-enoic acid
CID 25028649
(E)-7-amino-2-fluorohept-2-enoic acid
CID 25028651
(Z)-9-amino-2-fluoronon-2-enoic acid
CID 25028653
(Z)-10-amino-2-fluorodec-2-enoic acid
CID 25028655
(Z)-14-amino-2-fluorotetradec-2-enoic acid
CID 25028657
[(Z)-5-carboxy-5-fluoropent-4-enyl]azanium
CID 59498632
[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium
CID 59498633
[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium
CID 59498634
[(Z)-9-carboxy-9-fluoronon-8-enyl]azanium
CID 59498640

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium?
The IUPAC name of [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium (CID 59498631) is [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium.
What is the SMILES notation for [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium?
The canonical SMILES for [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium is [NH3+]CCCC/C=C(\F)C(=O)O.
What is the InChIKey of [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium?
The InChIKey is UUJZNZXJBGXHOE-XQRVVYSFSA-O. 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)/p+1/b6-4-.
What are the key properties of [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium?
[(Z)-6-carboxy-6-fluorohex-5-enyl]azanium has a molecular weight of 162.18 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-carboxy-6-fluorohex-5-enyl]azanium is sourced from PubChem (CID 59498631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).