fluoro 2-(fluoromethyl)pent-4-enoate

C6H8F2O2 — CID 174381928

IUPACfluoro 2-(fluoromethyl)pent-4-enoate
SMILESC=CCC(CF)C(=O)OF
InChIInChI=1S/C6H8F2O2/c1-2-3-5(4-7)6(9)10-8/h2,5H,1,3-4H2
InChIKeyDIIUSBZRQSLCOX-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.58
Rot. Bonds4

About fluoro 2-(fluoromethyl)pent-4-enoate

fluoro 2-(fluoromethyl)pent-4-enoate (PubChem CID 174381928) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is fluoro 2-(fluoromethyl)pent-4-enoate.

Molecular Properties

Compound Namefluoro 2-(fluoromethyl)pent-4-enoate
PubChem CID174381928
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Namefluoro 2-(fluoromethyl)pent-4-enoate
SMILESC=CCC(CF)C(=O)OF
InChIInChI=1S/C6H8F2O2/c1-2-3-5(4-7)6(9)10-8/h2,5H,1,3-4H2
InChIKeyDIIUSBZRQSLCOX-UHFFFAOYSA-N
XLogP1.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynylpent-4-enamide
CID 173278593
2,5-bis(prop-2-enyl)hexanediamide
CID 121007809
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
1,1,2,2,2-pentadeuterioethyl 2-prop-2-enylpent-4-enoate
CID 171382049
3-ethylhex-5-en-2-one
CID 58995117
pent-4-en-2-yl 2,2,2-triaminoacetate
CID 173458415
methyl 2-(nitromethyl)pent-4-enoate
CID 12936800
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
methyl 2-aminopent-4-enoate
CID 10877146
2-prop-2-enylbutanedioate
CID 18008387

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(fluoromethyl)pent-4-enoate?
The IUPAC name of fluoro 2-(fluoromethyl)pent-4-enoate (CID 174381928) is fluoro 2-(fluoromethyl)pent-4-enoate.
What is the SMILES notation for fluoro 2-(fluoromethyl)pent-4-enoate?
The canonical SMILES for fluoro 2-(fluoromethyl)pent-4-enoate is C=CCC(CF)C(=O)OF.
What is the InChIKey of fluoro 2-(fluoromethyl)pent-4-enoate?
The InChIKey is DIIUSBZRQSLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-2-3-5(4-7)6(9)10-8/h2,5H,1,3-4H2.
What are the key properties of fluoro 2-(fluoromethyl)pent-4-enoate?
fluoro 2-(fluoromethyl)pent-4-enoate has a molecular weight of 150.12 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(fluoromethyl)pent-4-enoate is sourced from PubChem (CID 174381928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).