trans-(1R,2R)-1-bromo-2-fluorocycloheptane

C7H12BrF — CID 11446885

IUPACtrans-(1R,2R)-1-bromo-2-fluorocycloheptane
SMILESF[C@@H]1CCCCC[C@H]1Br
InChIInChI=1S/C7H12BrF/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKeyKDUPFNYOFLPARA-RNFRBKRXSA-N
MW195.07 g/mol
LogP3.05
Rot. Bonds

About trans-(1R,2R)-1-bromo-2-fluorocycloheptane

trans-(1R,2R)-1-bromo-2-fluorocycloheptane (PubChem CID 11446885) has the molecular formula C7H12BrF and a molecular weight of 195.07 g/mol. Its IUPAC name is trans-(1R,2R)-1-bromo-2-fluorocycloheptane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-bromo-2-fluorocycloheptane
PubChem CID11446885
Molecular FormulaC7H12BrF
Molecular Weight195.07 g/mol
Exact Mass194.01
IUPAC Nametrans-(1R,2R)-1-bromo-2-fluorocycloheptane
SMILESF[C@@H]1CCCCC[C@H]1Br
InChIInChI=1S/C7H12BrF/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5H2/t6-,7-/m1/s1
InChIKeyKDUPFNYOFLPARA-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 trans-(1R,2R)-1-bromo-2-fluorocycloheptane?
The IUPAC name of trans-(1R,2R)-1-bromo-2-fluorocycloheptane (CID 11446885) is trans-(1R,2R)-1-bromo-2-fluorocycloheptane.
What is the SMILES notation for trans-(1R,2R)-1-bromo-2-fluorocycloheptane?
The canonical SMILES for trans-(1R,2R)-1-bromo-2-fluorocycloheptane is F[C@@H]1CCCCC[C@H]1Br.
What is the InChIKey of trans-(1R,2R)-1-bromo-2-fluorocycloheptane?
The InChIKey is KDUPFNYOFLPARA-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12BrF/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5H2/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-bromo-2-fluorocycloheptane?
trans-(1R,2R)-1-bromo-2-fluorocycloheptane 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 trans-(1R,2R)-1-bromo-2-fluorocycloheptane is sourced from PubChem (CID 11446885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).