1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane

C6H5Br2F5 — CID 10892917

IUPAC1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane
SMILESCC(Br)C(Br)C1(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H5Br2F5/c1-2(7)3(8)4(9)5(10,11)6(4,12)13/h2-3H,1H3
InChIKeyJVKFSAPFLNIISS-UHFFFAOYSA-N
MW331.90 g/mol
LogP3.53
Rot. Bonds2

About 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane

1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane (PubChem CID 10892917) has the molecular formula C6H5Br2F5 and a molecular weight of 331.90 g/mol. Its IUPAC name is 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane.

Molecular Properties

Compound Name1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane
PubChem CID10892917
Molecular FormulaC6H5Br2F5
Molecular Weight331.90 g/mol
Exact Mass329.87
IUPAC Name1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane
SMILESCC(Br)C(Br)C1(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H5Br2F5/c1-2(7)3(8)4(9)5(10,11)6(4,12)13/h2-3H,1H3
InChIKeyJVKFSAPFLNIISS-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.90
LogP ≤ 53.53
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

1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-di(propan-2-yl)cyclohexane
CID 121401406
1-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethanol
CID 4541334
(2S,3S)-2,3-dibromobutane
CID 23270428
(4S)-2,4-dibromo-3-methylpentane
CID 163722400
(3S)-3-bromo-1-chloro-2-fluorobutane
CID 166684401
1,4,4,5,5,6-hexafluoro-6-propan-2-ylcyclohex-2-ene-1-carboxylic acid
CID 154416702
(2S,3R)-3-bromo-1-fluoro-2-methylbutane
CID 174033682
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
CID 153324130
(2S,3R)-3-bromobutan-2-amine
CID 13495075
(2S,3S)-2,3-dibromo-4-methylpentane
CID 98119874
2,5-dibromohexane-3,4-diol
CID 102249432
(2R,3R,4S)-1,2,3,4-tetrabromopentane
CID 97292402

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane?
The IUPAC name of 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane (CID 10892917) is 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane.
What is the SMILES notation for 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane?
The canonical SMILES for 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane is CC(Br)C(Br)C1(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane?
The InChIKey is JVKFSAPFLNIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2F5/c1-2(7)3(8)4(9)5(10,11)6(4,12)13/h2-3H,1H3.
What are the key properties of 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane?
1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane has a molecular weight of 331.90 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dibromopropyl)-1,2,2,3,3-pentafluorocyclopropane is sourced from PubChem (CID 10892917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).