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

C9H17ClFNO2 — CID 25028652

IUPAC(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
SMILESCl.NCCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C9H16FNO2.ClH/c10-8(9(12)13)6-4-2-1-3-5-7-11;/h6H,1-5,7,11H2,(H,12,13);1H/b8-6-;
InChIKeyZPTASTVPHMMOHC-PHZXCRFESA-N
MW225.69 g/mol
LogP2.26
Rot. Bonds7

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

(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride (PubChem CID 25028652) has the molecular formula C9H17ClFNO2 and a molecular weight of 225.69 g/mol. Its IUPAC name is (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
PubChem CID25028652
Molecular FormulaC9H17ClFNO2
Molecular Weight225.69 g/mol
Exact Mass225.09
IUPAC Name(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
SMILESCl.NCCCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C9H16FNO2.ClH/c10-8(9(12)13)6-4-2-1-3-5-7-11;/h6H,1-5,7,11H2,(H,12,13);1H/b8-6-;
InChIKeyZPTASTVPHMMOHC-PHZXCRFESA-N
XLogP2.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 52.26
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

(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
CID 25028656
[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
CID 59498641
8-amino-2-methyloct-2-enoic acid
CID 90963841
(14Z)-2-fluorononadeca-2,14-dienoic acid
CID 175559432
(Z)-2-fluorohept-2-enoic acid
CID 14691011
(E)-14-aminotetradec-2-enoic acid;hydrochloride
CID 25028644
alumane;6-aminohexanoic acid;zirconium;hydrochloride
CID 173334193
(Z)-16-aminohexadec-9-enoic acid
CID 87215029
(Z)-16-aminohexadec-11-enoic acid
CID 89054374
12-aminododecanoic acid;hydrochloride
CID 12651573
(Z)-4-bromo-2-fluorobut-2-enoic acid
CID 19866003
15-ethylheptadec-14-en-1-amine
CID 171060797

Frequently Asked Questions

What is the IUPAC name of (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride?
The IUPAC name of (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride (CID 25028652) is (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride.
What is the SMILES notation for (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride?
The canonical SMILES for (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride is Cl.NCCCCCC/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride?
The InChIKey is ZPTASTVPHMMOHC-PHZXCRFESA-N. The full InChI is InChI=1S/C9H16FNO2.ClH/c10-8(9(12)13)6-4-2-1-3-5-7-11;/h6H,1-5,7,11H2,(H,12,13);1H/b8-6-;.
What are the key properties of (Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride?
(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride has a molecular weight of 225.69 g/mol, XLogP of 2.26, 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;hydrochloride is sourced from PubChem (CID 25028652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).