fluoro (Z)-2-(bromomethyl)hex-2-enoate

C7H10BrFO2 — CID 142927770

IUPACfluoro (Z)-2-(bromomethyl)hex-2-enoate
SMILESCCC/C=C(\CBr)C(=O)OF
InChIInChI=1S/C7H10BrFO2/c1-2-3-4-6(5-8)7(10)11-9/h4H,2-3,5H2,1H3/b6-4+
InChIKeyUHKZXZOAVBDRIG-GQCTYLIASA-N
MW225.06 g/mol
LogP2.54
Rot. Bonds4

About fluoro (Z)-2-(bromomethyl)hex-2-enoate

fluoro (Z)-2-(bromomethyl)hex-2-enoate (PubChem CID 142927770) has the molecular formula C7H10BrFO2 and a molecular weight of 225.06 g/mol. Its IUPAC name is fluoro (Z)-2-(bromomethyl)hex-2-enoate.

Molecular Properties

Compound Namefluoro (Z)-2-(bromomethyl)hex-2-enoate
PubChem CID142927770
Molecular FormulaC7H10BrFO2
Molecular Weight225.06 g/mol
Exact Mass223.98
IUPAC Namefluoro (Z)-2-(bromomethyl)hex-2-enoate
SMILESCCC/C=C(\CBr)C(=O)OF
InChIInChI=1S/C7H10BrFO2/c1-2-3-4-6(5-8)7(10)11-9/h4H,2-3,5H2,1H3/b6-4+
InChIKeyUHKZXZOAVBDRIG-GQCTYLIASA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.06
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-methylhex-2-enoate
CID 7020608
fluoro (Z)-2-(bromomethyl)but-2-enoate
CID 142927702
fluoro (Z)-2-(bromomethyl)non-2-enoate
CID 142927722
Fluoro 2-methylhex-2-enoate
CID 174475859
Fluoro 2-methylpent-2-enoate
CID 175402886
Methyl 2-(bromomethyl)hex-2-enoate
CID 53942542
methyl (2Z)-2-(bromomethyl)hex-2-enoate
CID 642271
Erythro-(2z)-4,5-dibromo-2-methyl-2-hexenoic acid
CID 129720726
5-Bromo-5,5-difluoro-2-methylpent-2-enoate
CID 154074094
(E)-6-bromo-3-methylhex-2-enoic acid
CID 11735900
2-Pentenoic acid, 2-(bromomethyl)-, methyl ester, (2Z)-
CID 14879208
(E)-2-(bromomethyl)pent-2-enoic acid
CID 21997611

Frequently Asked Questions

What is the IUPAC name of fluoro (Z)-2-(bromomethyl)hex-2-enoate?
The IUPAC name of fluoro (Z)-2-(bromomethyl)hex-2-enoate (CID 142927770) is fluoro (Z)-2-(bromomethyl)hex-2-enoate.
What is the SMILES notation for fluoro (Z)-2-(bromomethyl)hex-2-enoate?
The canonical SMILES for fluoro (Z)-2-(bromomethyl)hex-2-enoate is CCC/C=C(\CBr)C(=O)OF.
What is the InChIKey of fluoro (Z)-2-(bromomethyl)hex-2-enoate?
The InChIKey is UHKZXZOAVBDRIG-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10BrFO2/c1-2-3-4-6(5-8)7(10)11-9/h4H,2-3,5H2,1H3/b6-4+.
What are the key properties of fluoro (Z)-2-(bromomethyl)hex-2-enoate?
fluoro (Z)-2-(bromomethyl)hex-2-enoate has a molecular weight of 225.06 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (Z)-2-(bromomethyl)hex-2-enoate is sourced from PubChem (CID 142927770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).