(Z)-9-amino-2-fluoronon-2-enoic acid

C9H16FNO2 — CID 25028653

IUPAC(Z)-9-amino-2-fluoronon-2-enoic acid
SMILESNCCCCCC/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)/b8-6-
InChIKeyFIXKECRBUWSWGO-VURMDHGXSA-N
MW189.23 g/mol
LogP1.83
Rot. Bonds7

About (Z)-9-amino-2-fluoronon-2-enoic acid

(Z)-9-amino-2-fluoronon-2-enoic acid (PubChem CID 25028653) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (Z)-9-amino-2-fluoronon-2-enoic acid.

Molecular Properties

Compound Name(Z)-9-amino-2-fluoronon-2-enoic acid
PubChem CID25028653
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(Z)-9-amino-2-fluoronon-2-enoic acid
SMILESNCCCCCC/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)/b8-6-
InChIKeyFIXKECRBUWSWGO-VURMDHGXSA-N
XLogP1.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.83
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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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)-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
[(Z)-13-carboxy-13-fluorotridec-12-enyl]azanium
CID 59498633

Frequently Asked Questions

What is the IUPAC name of (Z)-9-amino-2-fluoronon-2-enoic acid?
The IUPAC name of (Z)-9-amino-2-fluoronon-2-enoic acid (CID 25028653) is (Z)-9-amino-2-fluoronon-2-enoic acid.
What is the SMILES notation for (Z)-9-amino-2-fluoronon-2-enoic acid?
The canonical SMILES for (Z)-9-amino-2-fluoronon-2-enoic acid is NCCCCCC/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-9-amino-2-fluoronon-2-enoic acid?
The InChIKey is FIXKECRBUWSWGO-VURMDHGXSA-N. 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)/b8-6-.
What are the key properties of (Z)-9-amino-2-fluoronon-2-enoic acid?
(Z)-9-amino-2-fluoronon-2-enoic acid has a molecular weight of 189.23 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-9-amino-2-fluoronon-2-enoic acid is sourced from PubChem (CID 25028653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).