1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane

C8H12BrF3O — CID 65007309

IUPAC1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane
SMILESFC(F)(F)COCC1(CBr)CCC1
InChIInChI=1S/C8H12BrF3O/c9-4-7(2-1-3-7)5-13-6-8(10,11)12/h1-6H2
InChIKeyUFVJGAUSMACHMR-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.13
Rot. Bonds4

About 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane

1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane (PubChem CID 65007309) has the molecular formula C8H12BrF3O and a molecular weight of 261.08 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane
PubChem CID65007309
Molecular FormulaC8H12BrF3O
Molecular Weight261.08 g/mol
Exact Mass260.00
IUPAC Name1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane
SMILESFC(F)(F)COCC1(CBr)CCC1
InChIInChI=1S/C8H12BrF3O/c9-4-7(2-1-3-7)5-13-6-8(10,11)12/h1-6H2
InChIKeyUFVJGAUSMACHMR-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.13
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-(Bromomethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane
CID 66048001
1-(Bromomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
CID 66049312
1-Bromo-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66049919
1-(Bromomethyl)-1-(1,1,1-trifluoropropan-2-yloxymethyl)cyclobutane
CID 66275449
2-Bromo-1,1-dimethyl-4-(2,2,2-trifluoroethoxy)cyclobutane
CID 66345088
2-Bromo-1,1-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)cyclobutane
CID 66358898
1-Bromo-2-(bromomethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentane
CID 79453880
1-(Bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclobutane
CID 82005065
2-Bromo-4-(2,2-difluoroethoxy)-1,1-dimethylcyclobutane
CID 82009086
1-(Bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane
CID 82788594
2-Bromo-1,1-dimethyl-4-(4,4,4-trifluorobutoxy)cyclobutane
CID 82795107
1-(Bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclobutane
CID 82955243

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane?
The IUPAC name of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane (CID 65007309) is 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane is FC(F)(F)COCC1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane?
The InChIKey is UFVJGAUSMACHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF3O/c9-4-7(2-1-3-7)5-13-6-8(10,11)12/h1-6H2.
What are the key properties of 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane?
1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane has a molecular weight of 261.08 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane is sourced from PubChem (CID 65007309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).