(5R)-1-bromo-3-ethyl-5-fluorocyclohexane

C8H14BrF — CID 130451561

IUPAC(5R)-1-bromo-3-ethyl-5-fluorocyclohexane
SMILESCCC1CC(Br)C[C@H](F)C1
InChIInChI=1S/C8H14BrF/c1-2-6-3-7(9)5-8(10)4-6/h6-8H,2-5H2,1H3/t6?,7?,8-/m1/s1
InChIKeyYUFMYIFJYGKFAY-KAVNDROISA-N
MW209.10 g/mol
LogP3.30
Rot. Bonds1

About (5R)-1-bromo-3-ethyl-5-fluorocyclohexane

(5R)-1-bromo-3-ethyl-5-fluorocyclohexane (PubChem CID 130451561) has the molecular formula C8H14BrF and a molecular weight of 209.10 g/mol. Its IUPAC name is (5R)-1-bromo-3-ethyl-5-fluorocyclohexane.

Molecular Properties

Compound Name(5R)-1-bromo-3-ethyl-5-fluorocyclohexane
PubChem CID130451561
Molecular FormulaC8H14BrF
Molecular Weight209.10 g/mol
Exact Mass208.03
IUPAC Name(5R)-1-bromo-3-ethyl-5-fluorocyclohexane
SMILESCCC1CC(Br)C[C@H](F)C1
InChIInChI=1S/C8H14BrF/c1-2-6-3-7(9)5-8(10)4-6/h6-8H,2-5H2,1H3/t6?,7?,8-/m1/s1
InChIKeyYUFMYIFJYGKFAY-KAVNDROISA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-bromo-3-ethyl-5-fluorocyclohexane?
The IUPAC name of (5R)-1-bromo-3-ethyl-5-fluorocyclohexane (CID 130451561) is (5R)-1-bromo-3-ethyl-5-fluorocyclohexane.
What is the SMILES notation for (5R)-1-bromo-3-ethyl-5-fluorocyclohexane?
The canonical SMILES for (5R)-1-bromo-3-ethyl-5-fluorocyclohexane is CCC1CC(Br)C[C@H](F)C1.
What is the InChIKey of (5R)-1-bromo-3-ethyl-5-fluorocyclohexane?
The InChIKey is YUFMYIFJYGKFAY-KAVNDROISA-N. The full InChI is InChI=1S/C8H14BrF/c1-2-6-3-7(9)5-8(10)4-6/h6-8H,2-5H2,1H3/t6?,7?,8-/m1/s1.
What are the key properties of (5R)-1-bromo-3-ethyl-5-fluorocyclohexane?
(5R)-1-bromo-3-ethyl-5-fluorocyclohexane has a molecular weight of 209.10 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-bromo-3-ethyl-5-fluorocyclohexane is sourced from PubChem (CID 130451561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).