1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane

C8H12BrF3O — CID 62110594

IUPAC1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane
SMILESFC(F)(F)COC1CCCCC1Br
InChIInChI=1S/C8H12BrF3O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h6-7H,1-5H2
InChIKeyDWYJCEPWPPOYBV-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.27
Rot. Bonds2

About 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane

1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane (PubChem CID 62110594) has the molecular formula C8H12BrF3O and a molecular weight of 261.08 g/mol. Its IUPAC name is 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane.

Molecular Properties

Compound Name1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane
PubChem CID62110594
Molecular FormulaC8H12BrF3O
Molecular Weight261.08 g/mol
Exact Mass260.00
IUPAC Name1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane
SMILESFC(F)(F)COC1CCCCC1Br
InChIInChI=1S/C8H12BrF3O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h6-7H,1-5H2
InChIKeyDWYJCEPWPPOYBV-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethynyl-2-(2,2,2-trifluoroethoxy)cyclohexane
CID 13485137
2,2,2-trifluoroethoxycycloheptane
CID 148866146
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
(2R,6S)-2,6-dimethyl-N-[[(1S,2R)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxan-4-amine
CID 124856084
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-(2-bromocyclopentyl)oxy-N-methylmethanamine
CID 171766461
1-bromo-3-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345295
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane?
The IUPAC name of 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane (CID 62110594) is 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane.
What is the SMILES notation for 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane?
The canonical SMILES for 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane is FC(F)(F)COC1CCCCC1Br.
What is the InChIKey of 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane?
The InChIKey is DWYJCEPWPPOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF3O/c9-6-3-1-2-4-7(6)13-5-8(10,11)12/h6-7H,1-5H2.
What are the key properties of 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane?
1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane has a molecular weight of 261.08 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2,2-trifluoroethoxy)cyclohexane is sourced from PubChem (CID 62110594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).