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

C10H16BrFO2 — CID 142927722

IUPACfluoro (Z)-2-(bromomethyl)non-2-enoate
SMILESCCCCCC/C=C(\CBr)C(=O)OF
InChIInChI=1S/C10H16BrFO2/c1-2-3-4-5-6-7-9(8-11)10(13)14-12/h7H,2-6,8H2,1H3/b9-7+
InChIKeyWJVQILXRPZUURC-VQHVLOKHSA-N
MW267.14 g/mol
LogP3.71
Rot. Bonds7

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

fluoro (Z)-2-(bromomethyl)non-2-enoate (PubChem CID 142927722) has the molecular formula C10H16BrFO2 and a molecular weight of 267.14 g/mol. Its IUPAC name is fluoro (Z)-2-(bromomethyl)non-2-enoate.

Molecular Properties

Compound Namefluoro (Z)-2-(bromomethyl)non-2-enoate
PubChem CID142927722
Molecular FormulaC10H16BrFO2
Molecular Weight267.14 g/mol
Exact Mass266.03
IUPAC Namefluoro (Z)-2-(bromomethyl)non-2-enoate
SMILESCCCCCC/C=C(\CBr)C(=O)OF
InChIInChI=1S/C10H16BrFO2/c1-2-3-4-5-6-7-9(8-11)10(13)14-12/h7H,2-6,8H2,1H3/b9-7+
InChIKeyWJVQILXRPZUURC-VQHVLOKHSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

fluoro (Z)-2-(bromomethyl)hex-2-enoate
CID 142927770
Fluoro 2-methyltridec-2-enoate
CID 174462094
Fluoro 2-methylundec-2-enoate
CID 174510755
Fluoro 2-methyldec-2-enoate
CID 174535636
Fluoro 2-methylpentadec-2-enoate
CID 174861894
Fluoro 2-ethylnon-2-enoate
CID 175267989
dimethyl (2Z,8E)-2-(bromomethyl)deca-2,8-dienedioate
CID 102381396
methyl (Z)-2-(bromomethyl)dodec-2-enoate
CID 134995786
Bromo 4,4,5,5,6,6,7,7,13,13-decabromo-13-fluoro-2-methyltridec-2-enoate
CID 141260589
ethyl (Z)-2-(bromomethyl)non-2-enoate
CID 12453764
methyl (Z)-2-(bromomethyl)oct-2-enoate
CID 15467463
(E)-14-bromo-2-methyltetradec-2-enoic acid
CID 21126148

Frequently Asked Questions

What is the IUPAC name of fluoro (Z)-2-(bromomethyl)non-2-enoate?
The IUPAC name of fluoro (Z)-2-(bromomethyl)non-2-enoate (CID 142927722) is fluoro (Z)-2-(bromomethyl)non-2-enoate.
What is the SMILES notation for fluoro (Z)-2-(bromomethyl)non-2-enoate?
The canonical SMILES for fluoro (Z)-2-(bromomethyl)non-2-enoate is CCCCCC/C=C(\CBr)C(=O)OF.
What is the InChIKey of fluoro (Z)-2-(bromomethyl)non-2-enoate?
The InChIKey is WJVQILXRPZUURC-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16BrFO2/c1-2-3-4-5-6-7-9(8-11)10(13)14-12/h7H,2-6,8H2,1H3/b9-7+.
What are the key properties of fluoro (Z)-2-(bromomethyl)non-2-enoate?
fluoro (Z)-2-(bromomethyl)non-2-enoate has a molecular weight of 267.14 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro (Z)-2-(bromomethyl)non-2-enoate is sourced from PubChem (CID 142927722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).