[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene

C10H10BrFO — CID 11586810

IUPAC[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene
SMILESF/C(Br)=C\COCc1ccccc1
InChIInChI=1S/C10H10BrFO/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-6H,7-8H2/b10-6-
InChIKeyXSNPJWQJOOIQQH-POHAHGRESA-N
MW245.09 g/mol
LogP3.41
Rot. Bonds4

About [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene

[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene (PubChem CID 11586810) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene
PubChem CID11586810
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene
SMILESF/C(Br)=C\COCc1ccccc1
InChIInChI=1S/C10H10BrFO/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-6H,7-8H2/b10-6-
InChIKeyXSNPJWQJOOIQQH-POHAHGRESA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
3-bromobut-2-enoxymethylbenzene
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[(2E,4E)-3,5-dibromohepta-2,4,6-trienoxy]methylbenzene
CID 143253089
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
(E)-2-chloro-4-phenylmethoxybut-2-enal
CID 25193959
(E)-3-iodo-5-phenylmethoxypent-3-enoic acid
CID 134967985
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
CID 66734377
CID 66734377
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
[(E)-4-(methoxymethoxy)-3-methylbut-2-enoxy]methylbenzene
CID 11572215
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507

Frequently Asked Questions

What is the IUPAC name of [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene?
The IUPAC name of [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene (CID 11586810) is [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene.
What is the SMILES notation for [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene?
The canonical SMILES for [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene is F/C(Br)=C\COCc1ccccc1.
What is the InChIKey of [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene?
The InChIKey is XSNPJWQJOOIQQH-POHAHGRESA-N. The full InChI is InChI=1S/C10H10BrFO/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-6H,7-8H2/b10-6-.
What are the key properties of [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene?
[(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene has a molecular weight of 245.09 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromo-3-fluoroprop-2-enoxy]methylbenzene is sourced from PubChem (CID 11586810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).