1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene

C11H11BrF2O2 — CID 129411725

IUPAC1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene
SMILESCOc1cc(OC[C@@H]2CC2(F)F)ccc1Br
InChIInChI=1S/C11H11BrF2O2/c1-15-10-4-8(2-3-9(10)12)16-6-7-5-11(7,13)14/h2-4,7H,5-6H2,1H3/t7-/m0/s1
InChIKeyPTBOXHIHRCUJIQ-ZETCQYMHSA-N
MW293.11 g/mol
LogP3.49
Rot. Bonds4

About 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene

1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene (PubChem CID 129411725) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene
PubChem CID129411725
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene
SMILESCOc1cc(OC[C@@H]2CC2(F)F)ccc1Br
InChIInChI=1S/C11H11BrF2O2/c1-15-10-4-8(2-3-9(10)12)16-6-7-5-11(7,13)14/h2-4,7H,5-6H2,1H3/t7-/m0/s1
InChIKeyPTBOXHIHRCUJIQ-ZETCQYMHSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene?
The IUPAC name of 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene (CID 129411725) is 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene is COc1cc(OC[C@@H]2CC2(F)F)ccc1Br.
What is the InChIKey of 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene?
The InChIKey is PTBOXHIHRCUJIQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c1-15-10-4-8(2-3-9(10)12)16-6-7-5-11(7,13)14/h2-4,7H,5-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene?
1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene has a molecular weight of 293.11 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[[(1S)-2,2-difluorocyclopropyl]methoxy]-2-methoxybenzene is sourced from PubChem (CID 129411725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).