5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene

C11H11BrF2O — CID 79887966

IUPAC5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
SMILESFc1cc(CBr)cc(F)c1OCC1CC1
InChIInChI=1S/C11H11BrF2O/c12-5-8-3-9(13)11(10(14)4-8)15-6-7-1-2-7/h3-4,7H,1-2,5-6H2
InChIKeyKXCKFLTXGURXCJ-UHFFFAOYSA-N
MW277.11 g/mol
LogP3.65
Rot. Bonds4

About 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene

5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene (PubChem CID 79887966) has the molecular formula C11H11BrF2O and a molecular weight of 277.11 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
PubChem CID79887966
Molecular FormulaC11H11BrF2O
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Name5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
SMILESFc1cc(CBr)cc(F)c1OCC1CC1
InChIInChI=1S/C11H11BrF2O/c12-5-8-3-9(13)11(10(14)4-8)15-6-7-1-2-7/h3-4,7H,1-2,5-6H2
InChIKeyKXCKFLTXGURXCJ-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-5-methyloxolane
CID 103135410
5-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-2,2-dimethyloxolane
CID 116522401
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1-oxaspiro[4.4]nonane
CID 102898787
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123
[4-(cyclopropylmethoxymethoxy)-3,5-difluorophenyl]methanol
CID 106929822
2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
CID 90411177
4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81285641
1,3-dibromo-5-(bromomethyl)-2-(cyclopropylmethoxymethoxy)benzene
CID 107745625
3-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-2,3-dihydro-1-benzothiophene
CID 79881359
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene
CID 171109232
(Z)-2-amino-2-[4-(cyclopropylmethoxy)-3,5-difluorophenyl]ethenethiol
CID 88904674

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene (CID 79887966) is 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene is Fc1cc(CBr)cc(F)c1OCC1CC1.
What is the InChIKey of 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene?
The InChIKey is KXCKFLTXGURXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2O/c12-5-8-3-9(13)11(10(14)4-8)15-6-7-1-2-7/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene?
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene has a molecular weight of 277.11 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene is sourced from PubChem (CID 79887966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).