2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene

C11H11BrClFO — CID 166147902

IUPAC2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene
SMILESFc1cc(Cl)cc(OC2CCCC2)c1Br
InChIInChI=1S/C11H11BrClFO/c12-11-9(14)5-7(13)6-10(11)15-8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyYJMCRBCALMAJOI-UHFFFAOYSA-N
MW293.56 g/mol
LogP4.56
Rot. Bonds2

About 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene

2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene (PubChem CID 166147902) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene.

Molecular Properties

Compound Name2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene
PubChem CID166147902
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene
SMILESFc1cc(Cl)cc(OC2CCCC2)c1Br
InChIInChI=1S/C11H11BrClFO/c12-11-9(14)5-7(13)6-10(11)15-8-3-1-2-4-8/h5-6,8H,1-4H2
InChIKeyYJMCRBCALMAJOI-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 54.56
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

4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
4-bromo-2-cyclohexyloxy-1-fluorobenzene
CID 114672606
2-bromo-5-chloro-1,3-difluorobenzene
CID 2761407
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
3-bromo-4-cyclopentyloxyphenol
CID 68761541
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
(5-chloro-2-nitrophenoxy)cycloheptane
CID 82935207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene?
The IUPAC name of 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene (CID 166147902) is 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene.
What is the SMILES notation for 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene?
The canonical SMILES for 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene is Fc1cc(Cl)cc(OC2CCCC2)c1Br.
What is the InChIKey of 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene?
The InChIKey is YJMCRBCALMAJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c12-11-9(14)5-7(13)6-10(11)15-8-3-1-2-4-8/h5-6,8H,1-4H2.
What are the key properties of 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene?
2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene has a molecular weight of 293.56 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-1-cyclopentyloxy-3-fluorobenzene is sourced from PubChem (CID 166147902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).