(2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid

C7H10FNO2 — CID 123851391

IUPAC(2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid
SMILES[H]/N=C(CC)/C(C(=O)O)=C(\C)F
InChIInChI=1S/C7H10FNO2/c1-3-5(9)6(4(2)8)7(10)11/h9H,3H2,1-2H3,(H,10,11)/b6-4-,9-5+
InChIKeyXLGMNBKHKWCSRW-QUNSIMLLSA-N
MW159.16 g/mol
LogP1.74
Rot. Bonds3

About (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid

(2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid (PubChem CID 123851391) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid
PubChem CID123851391
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Name(2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid
SMILES[H]/N=C(CC)/C(C(=O)O)=C(\C)F
InChIInChI=1S/C7H10FNO2/c1-3-5(9)6(4(2)8)7(10)11/h9H,3H2,1-2H3,(H,10,11)/b6-4-,9-5+
InChIKeyXLGMNBKHKWCSRW-QUNSIMLLSA-N
XLogP1.74
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid?
The IUPAC name of (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid (CID 123851391) is (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid.
What is the SMILES notation for (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid?
The canonical SMILES for (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid is [H]/N=C(CC)/C(C(=O)O)=C(\C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid?
The InChIKey is XLGMNBKHKWCSRW-QUNSIMLLSA-N. The full InChI is InChI=1S/C7H10FNO2/c1-3-5(9)6(4(2)8)7(10)11/h9H,3H2,1-2H3,(H,10,11)/b6-4-,9-5+.
What are the key properties of (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid?
(2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid has a molecular weight of 159.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-fluoroethylidene)-3-iminopentanoic acid is sourced from PubChem (CID 123851391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).