1-fluoroethyl 2-methylidenepentanoate

C8H13FO2 — CID 174426494

IUPAC1-fluoroethyl 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OC(C)F
InChIInChI=1S/C8H13FO2/c1-4-5-6(2)8(10)11-7(3)9/h7H,2,4-5H2,1,3H3
InChIKeyJJFKCNUWVWMGKD-UHFFFAOYSA-N
MW160.19 g/mol
LogP2.20
Rot. Bonds4

About 1-fluoroethyl 2-methylidenepentanoate

1-fluoroethyl 2-methylidenepentanoate (PubChem CID 174426494) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-fluoroethyl 2-methylidenepentanoate.

Molecular Properties

Compound Name1-fluoroethyl 2-methylidenepentanoate
PubChem CID174426494
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name1-fluoroethyl 2-methylidenepentanoate
SMILESC=C(CCC)C(=O)OC(C)F
InChIInChI=1S/C8H13FO2/c1-4-5-6(2)8(10)11-7(3)9/h7H,2,4-5H2,1,3H3
InChIKeyJJFKCNUWVWMGKD-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl 2-methylidenepentanoate?
The IUPAC name of 1-fluoroethyl 2-methylidenepentanoate (CID 174426494) is 1-fluoroethyl 2-methylidenepentanoate.
What is the SMILES notation for 1-fluoroethyl 2-methylidenepentanoate?
The canonical SMILES for 1-fluoroethyl 2-methylidenepentanoate is C=C(CCC)C(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl 2-methylidenepentanoate?
The InChIKey is JJFKCNUWVWMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-5-6(2)8(10)11-7(3)9/h7H,2,4-5H2,1,3H3.
What are the key properties of 1-fluoroethyl 2-methylidenepentanoate?
1-fluoroethyl 2-methylidenepentanoate has a molecular weight of 160.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl 2-methylidenepentanoate is sourced from PubChem (CID 174426494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).