4-(3-bromocyclopentyl)-1,2-difluorobenzene

C11H11BrF2 — CID 64508939

IUPAC4-(3-bromocyclopentyl)-1,2-difluorobenzene
SMILESFc1ccc(C2CCC(Br)C2)cc1F
InChIInChI=1S/C11H11BrF2/c12-9-3-1-7(5-9)8-2-4-10(13)11(14)6-8/h2,4,6-7,9H,1,3,5H2
InChIKeyJBRPZPLEJWVNJH-UHFFFAOYSA-N
MW261.11 g/mol
LogP4.00
Rot. Bonds1

About 4-(3-bromocyclopentyl)-1,2-difluorobenzene

4-(3-bromocyclopentyl)-1,2-difluorobenzene (PubChem CID 64508939) has the molecular formula C11H11BrF2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 4-(3-bromocyclopentyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(3-bromocyclopentyl)-1,2-difluorobenzene
PubChem CID64508939
Molecular FormulaC11H11BrF2
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name4-(3-bromocyclopentyl)-1,2-difluorobenzene
SMILESFc1ccc(C2CCC(Br)C2)cc1F
InChIInChI=1S/C11H11BrF2/c12-9-3-1-7(5-9)8-2-4-10(13)11(14)6-8/h2,4,6-7,9H,1,3,5H2
InChIKeyJBRPZPLEJWVNJH-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
(1R,5S)-3-(3,4-difluorophenyl)-8-azabicyclo[3.2.1]octane
CID 58503511
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
CID 144902495
(4aR,6R,8aR)-2-(3,4-difluorophenyl)-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809609
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
4-[4-[4-(2,2-dibromocyclopropyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 121400832
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 154010858
6-(3-bromocyclopentyl)quinoline
CID 81221641
(3S)-3-(3,4-difluorophenyl)cyclopentan-1-one
CID 95375871
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromocyclopentyl)-1,2-difluorobenzene?
The IUPAC name of 4-(3-bromocyclopentyl)-1,2-difluorobenzene (CID 64508939) is 4-(3-bromocyclopentyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(3-bromocyclopentyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(3-bromocyclopentyl)-1,2-difluorobenzene is Fc1ccc(C2CCC(Br)C2)cc1F.
What is the InChIKey of 4-(3-bromocyclopentyl)-1,2-difluorobenzene?
The InChIKey is JBRPZPLEJWVNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2/c12-9-3-1-7(5-9)8-2-4-10(13)11(14)6-8/h2,4,6-7,9H,1,3,5H2.
What are the key properties of 4-(3-bromocyclopentyl)-1,2-difluorobenzene?
4-(3-bromocyclopentyl)-1,2-difluorobenzene has a molecular weight of 261.11 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromocyclopentyl)-1,2-difluorobenzene is sourced from PubChem (CID 64508939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).