1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene

C12H13BrF2O — CID 106269710

IUPAC1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1COC1CCCC1
InChIInChI=1S/C12H13BrF2O/c13-10-5-6-11(14)9(12(10)15)7-16-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyMZAYVJJCGOLCGT-UHFFFAOYSA-N
MW291.13 g/mol
LogP4.19
Rot. Bonds3

About 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene

1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene (PubChem CID 106269710) has the molecular formula C12H13BrF2O and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
PubChem CID106269710
Molecular FormulaC12H13BrF2O
Molecular Weight291.13 g/mol
Exact Mass290.01
IUPAC Name1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1COC1CCCC1
InChIInChI=1S/C12H13BrF2O/c13-10-5-6-11(14)9(12(10)15)7-16-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyMZAYVJJCGOLCGT-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971
1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
4-[(3-bromo-2,6-difluorophenyl)methoxy]cyclohexane-1-carboxylic acid
CID 106262887
2-[(3-bromo-2,6-difluorophenyl)methoxy]cycloheptan-1-amine
CID 106264576
4-[(2,3,6-trifluorophenyl)methoxy]piperidine
CID 68519539
O-[(3-bromo-2,6-difluorophenyl)methyl]hydroxylamine
CID 106264573
3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
CID 106264583
2-(cyclopentyloxymethyl)-3-fluoroaniline
CID 63331594
2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene
CID 167222022
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-(2-chloroethoxy)piperidine
CID 106272398
2-(3-bromo-2,6-difluorophenyl)-1-cyclobutylethanone
CID 106266083
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene (CID 106269710) is 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene is Fc1ccc(Br)c(F)c1COC1CCCC1.
What is the InChIKey of 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene?
The InChIKey is MZAYVJJCGOLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2O/c13-10-5-6-11(14)9(12(10)15)7-16-8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene?
1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene has a molecular weight of 291.13 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene is sourced from PubChem (CID 106269710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).