1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene

C11H12BrFO2 — CID 141328336

IUPAC1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene
SMILESCOC1(COc2ccccc2Br)CC1F
InChIInChI=1S/C11H12BrFO2/c1-14-11(6-10(11)13)7-15-9-5-3-2-4-8(9)12/h2-5,10H,6-7H2,1H3
InChIKeyGQGFNJQIUDSUPI-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.95
Rot. Bonds4

About 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene

1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene (PubChem CID 141328336) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene
PubChem CID141328336
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene
SMILESCOC1(COc2ccccc2Br)CC1F
InChIInChI=1S/C11H12BrFO2/c1-14-11(6-10(11)13)7-15-9-5-3-2-4-8(9)12/h2-5,10H,6-7H2,1H3
InChIKeyGQGFNJQIUDSUPI-UHFFFAOYSA-N
XLogP2.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68523
2-Bromophenetole
CID 68500
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CID 99168
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CID 142395
1-Bromo-4-(propan-2-yloxy)benzene
CID 228088
1-Bromo-2-phenoxy-benzene
CID 37483
2-Bromo-4-fluoroanisole
CID 136292
3-Bromophenetole
CID 75867
2-[(4-Bromophenoxy)methyl]oxirane
CID 102766
1-Bromo-4-propoxybenzene
CID 2734198
1-Bromo-2-(2-bromoethoxy)benzene
CID 2734928
1-Bromo-4-(tert-butoxy)benzene
CID 2763959

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene?
The IUPAC name of 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene (CID 141328336) is 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene.
What is the SMILES notation for 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene?
The canonical SMILES for 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene is COC1(COc2ccccc2Br)CC1F.
What is the InChIKey of 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene?
The InChIKey is GQGFNJQIUDSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-14-11(6-10(11)13)7-15-9-5-3-2-4-8(9)12/h2-5,10H,6-7H2,1H3.
What are the key properties of 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene?
1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene has a molecular weight of 275.12 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-fluoro-1-methoxycyclopropyl)methoxy]benzene is sourced from PubChem (CID 141328336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).