[(E)-5-carboxy-5-fluoropent-4-enyl]azanium

C6H11FNO2+ — CID 59498641

IUPAC[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
SMILES[NH3+]CCC/C=C(/F)C(=O)O
InChIInChI=1S/C6H10FNO2/c7-5(6(9)10)3-1-2-4-8/h3H,1-2,4,8H2,(H,9,10)/p+1/b5-3+
InChIKeyYRNMNQUYGWAAEZ-HWKANZROSA-O
MW148.16 g/mol
LogP-0.05
Rot. Bonds4

About [(E)-5-carboxy-5-fluoropent-4-enyl]azanium

[(E)-5-carboxy-5-fluoropent-4-enyl]azanium (PubChem CID 59498641) has the molecular formula C6H11FNO2+ and a molecular weight of 148.16 g/mol. Its IUPAC name is [(E)-5-carboxy-5-fluoropent-4-enyl]azanium.

Molecular Properties

Compound Name[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
PubChem CID59498641
Molecular FormulaC6H11FNO2+
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
SMILES[NH3+]CCC/C=C(/F)C(=O)O
InChIInChI=1S/C6H10FNO2/c7-5(6(9)10)3-1-2-4-8/h3H,1-2,4,8H2,(H,9,10)/p+1/b5-3+
InChIKeyYRNMNQUYGWAAEZ-HWKANZROSA-O
XLogP-0.05
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.05
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

(Z)-2-fluorohept-2-enoic acid
CID 14691011
(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
CID 25028652
(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
CID 25028656
(14Z)-2-fluorononadeca-2,14-dienoic acid
CID 175559432
2-fluoropent-2-enedioic acid
CID 90022975
(Z)-4-bromo-2-fluorobut-2-enoic acid
CID 19866003
6-fluorotrideca-5,8-dien-7-one
CID 85312350
6,6-difluorohex-5-enoic acid
CID 11298056
(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
CID 87646358
6,6-difluorohex-5-enoic acid chloride
CID 86749714
(E)-2-fluoro-3-formyloxyprop-2-enoic acid
CID 155767663
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289

Frequently Asked Questions

What is the IUPAC name of [(E)-5-carboxy-5-fluoropent-4-enyl]azanium?
The IUPAC name of [(E)-5-carboxy-5-fluoropent-4-enyl]azanium (CID 59498641) is [(E)-5-carboxy-5-fluoropent-4-enyl]azanium.
What is the SMILES notation for [(E)-5-carboxy-5-fluoropent-4-enyl]azanium?
The canonical SMILES for [(E)-5-carboxy-5-fluoropent-4-enyl]azanium is [NH3+]CCC/C=C(/F)C(=O)O.
What is the InChIKey of [(E)-5-carboxy-5-fluoropent-4-enyl]azanium?
The InChIKey is YRNMNQUYGWAAEZ-HWKANZROSA-O. The full InChI is InChI=1S/C6H10FNO2/c7-5(6(9)10)3-1-2-4-8/h3H,1-2,4,8H2,(H,9,10)/p+1/b5-3+.
What are the key properties of [(E)-5-carboxy-5-fluoropent-4-enyl]azanium?
[(E)-5-carboxy-5-fluoropent-4-enyl]azanium has a molecular weight of 148.16 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-carboxy-5-fluoropent-4-enyl]azanium is sourced from PubChem (CID 59498641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).