4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene

C10H10BrFO — CID 67198367

IUPAC4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(CBr)cc1F
InChIInChI=1S/C10H10BrFO/c1-2-5-13-10-4-3-8(7-11)6-9(10)12/h2-4,6H,1,5,7H2
InChIKeyORNPLMFBYXNEOD-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.29
Rot. Bonds4

About 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene

4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene (PubChem CID 67198367) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
PubChem CID67198367
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(CBr)cc1F
InChIInChI=1S/C10H10BrFO/c1-2-5-13-10-4-3-8(7-11)6-9(10)12/h2-4,6H,1,5,7H2
InChIKeyORNPLMFBYXNEOD-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
4-(bromomethyl)-1-fluoro-2-prop-2-enoxybenzene;dibromo(triphenyl)-λ5-phosphane
CID 143428154
4-(bromomethyl)-2-fluoro-1-(3,3,3-trifluoropropoxy)benzene
CID 107691579
1,2,4-trifluoro-5-prop-2-enoxybenzene
CID 130724512
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
4-(bromomethyl)-1-(2-ethylsulfonylethoxy)-2-fluorobenzene
CID 107691526
4-(bromomethyl)-2-fluoro-1-(2-methylsulfonylethoxy)benzene
CID 107691591
4-(bromomethyl)-2-fluoro-1-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 107691649
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
(4-but-3-enoxy-3-fluorophenyl)methanamine
CID 107686236
4-(bromomethyl)-2-fluoro-1-[2-(3-methoxypropoxy)ethoxy]benzene
CID 107691568

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene (CID 67198367) is 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene is C=CCOc1ccc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene?
The InChIKey is ORNPLMFBYXNEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-2-5-13-10-4-3-8(7-11)6-9(10)12/h2-4,6H,1,5,7H2.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene?
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene has a molecular weight of 245.09 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene is sourced from PubChem (CID 67198367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).