[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium

C9H17FNO2+ — CID 59498634

IUPAC[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium
SMILES[NH3+]CCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C9H16FNO2/c10-8(9(12)13)6-4-2-1-3-5-7-11/h6H,1-5,7,11H2,(H,12,13)/p+1/b8-6-
InChIKeyFIXKECRBUWSWGO-VURMDHGXSA-O
MW190.24 g/mol
LogP1.12
Rot. Bonds7

About [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium

[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium (PubChem CID 59498634) has the molecular formula C9H17FNO2+ and a molecular weight of 190.24 g/mol. Its IUPAC name is [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium.

Molecular Properties

Compound Name[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium
PubChem CID59498634
Molecular FormulaC9H17FNO2+
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium
SMILES[NH3+]CCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C9H16FNO2/c10-8(9(12)13)6-4-2-1-3-5-7-11/h6H,1-5,7,11H2,(H,12,13)/p+1/b8-6-
InChIKeyFIXKECRBUWSWGO-VURMDHGXSA-O
XLogP1.12
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.12
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

11-Aminoundecenoic acid
CID 21328179
12-Aminododeceneoic acid
CID 54536804
12-Aminododecenoic acid
CID 88783860
(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)-6-carboxy-6-fluorohex-5-enyl]azanium
CID 59498631
[(Z)-5-carboxy-5-fluoropent-4-enyl]azanium
CID 59498632

Frequently Asked Questions

What is the IUPAC name of [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium?
The IUPAC name of [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium (CID 59498634) is [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium.
What is the SMILES notation for [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium?
The canonical SMILES for [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium is [NH3+]CCCCCC/C=C(\F)C(=O)O.
What is the InChIKey of [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium?
The InChIKey is FIXKECRBUWSWGO-VURMDHGXSA-O. The full InChI is InChI=1S/C9H16FNO2/c10-8(9(12)13)6-4-2-1-3-5-7-11/h6H,1-5,7,11H2,(H,12,13)/p+1/b8-6-.
What are the key properties of [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium?
[(Z)-8-carboxy-8-fluorooct-7-enyl]azanium has a molecular weight of 190.24 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-8-carboxy-8-fluorooct-7-enyl]azanium is sourced from PubChem (CID 59498634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).