cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane

C7H12BrF — CID 14433721

IUPACcis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
SMILESC[C@@]1(Br)CCCC[C@H]1F
InChIInChI=1S/C7H12BrF/c1-7(8)5-3-2-4-6(7)9/h6H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyJULCESNMIMKLCY-RNFRBKRXSA-N
MW195.07 g/mol
LogP3.05
Rot. Bonds

About cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane

cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane (PubChem CID 14433721) has the molecular formula C7H12BrF and a molecular weight of 195.07 g/mol. Its IUPAC name is cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane.

Molecular Properties

Compound Namecis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
PubChem CID14433721
Molecular FormulaC7H12BrF
Molecular Weight195.07 g/mol
Exact Mass194.01
IUPAC Namecis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
SMILESC[C@@]1(Br)CCCC[C@H]1F
InChIInChI=1S/C7H12BrF/c1-7(8)5-3-2-4-6(7)9/h6H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyJULCESNMIMKLCY-RNFRBKRXSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 53.05
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 cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane?
The IUPAC name of cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane (CID 14433721) is cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane.
What is the SMILES notation for cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane?
The canonical SMILES for cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane is C[C@@]1(Br)CCCC[C@H]1F.
What is the InChIKey of cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane?
The InChIKey is JULCESNMIMKLCY-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12BrF/c1-7(8)5-3-2-4-6(7)9/h6H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane?
cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane has a molecular weight of 195.07 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane is sourced from PubChem (CID 14433721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).