1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane

C5BrClF8 — CID 70673702

IUPAC1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane
SMILESFC1(F)C(F)(F)C(F)(F)C(Cl)(Br)C1(F)F
InChIInChI=1S/C5BrClF8/c6-1(7)2(8,9)4(12,13)5(14,15)3(1,10)11
InChIKeyNEQYWGFKQRYDSG-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.87
Rot. Bonds

About 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane

1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane (PubChem CID 70673702) has the molecular formula C5BrClF8 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane.

Molecular Properties

Compound Name1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane
PubChem CID70673702
Molecular FormulaC5BrClF8
Molecular Weight327.40 g/mol
Exact Mass325.87
IUPAC Name1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane
SMILESFC1(F)C(F)(F)C(F)(F)C(Cl)(Br)C1(F)F
InChIInChI=1S/C5BrClF8/c6-1(7)2(8,9)4(12,13)5(14,15)3(1,10)11
InChIKeyNEQYWGFKQRYDSG-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,4-dibromo-1,2,2,3,3,4,5,5,6,6-decafluorocyclohexane
CID 71412615
3-bromo-3-chloro-4,4,5,5,6,6-hexafluorocyclohexene
CID 150511473
hexafluoro-λ6-sulfane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 174484392
1-bromo-3-fluorobicyclo[1.1.1]pentane
CID 15759506
1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
CID 141455516
1,1,2,2,3,3,4,4,5-nonafluoro-5-nitrosocyclopentane
CID 13383161
1-bromo-2,2,3,3,4,5,5,6,6,7,7-undecafluorobicyclo[2.2.1]heptane
CID 23235262
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2-dichloroethane;trihydrofluoride
CID 173434972
1-chloro-1,2,2,3,3,4-hexafluoro-4-methylcyclobutane
CID 21279835

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane?
The IUPAC name of 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane (CID 70673702) is 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane.
What is the SMILES notation for 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane?
The canonical SMILES for 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane is FC1(F)C(F)(F)C(F)(F)C(Cl)(Br)C1(F)F.
What is the InChIKey of 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane?
The InChIKey is NEQYWGFKQRYDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5BrClF8/c6-1(7)2(8,9)4(12,13)5(14,15)3(1,10)11.
What are the key properties of 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane?
1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane has a molecular weight of 327.40 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane is sourced from PubChem (CID 70673702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).