6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane

C8H12ClF5 — CID 57213638

IUPAC6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane
SMILESCCC(CCCCl)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12ClF5/c1-2-6(4-3-5-9)7(10,11)8(12,13)14/h6H,2-5H2,1H3
InChIKeyWLXDROIIDIZSTL-UHFFFAOYSA-N
MW238.63 g/mol
LogP4.23
Rot. Bonds5

About 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane

6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane (PubChem CID 57213638) has the molecular formula C8H12ClF5 and a molecular weight of 238.63 g/mol. Its IUPAC name is 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane.

Molecular Properties

Compound Name6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane
PubChem CID57213638
Molecular FormulaC8H12ClF5
Molecular Weight238.63 g/mol
Exact Mass238.05
IUPAC Name6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane
SMILESCCC(CCCCl)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H12ClF5/c1-2-6(4-3-5-9)7(10,11)8(12,13)14/h6H,2-5H2,1H3
InChIKeyWLXDROIIDIZSTL-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane?
The IUPAC name of 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane (CID 57213638) is 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane.
What is the SMILES notation for 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane?
The canonical SMILES for 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane is CCC(CCCCl)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane?
The InChIKey is WLXDROIIDIZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF5/c1-2-6(4-3-5-9)7(10,11)8(12,13)14/h6H,2-5H2,1H3.
What are the key properties of 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane?
6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane has a molecular weight of 238.63 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-1,1,1,2,2-pentafluorohexane is sourced from PubChem (CID 57213638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).