1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane

C10H16BrF3O — CID 82788594

IUPAC1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane
SMILESFC(F)(F)CCCOCC1(CBr)CCC1
InChIInChI=1S/C10H16BrF3O/c11-7-9(3-1-4-9)8-15-6-2-5-10(12,13)14/h1-8H2
InChIKeyJKTFRTGPMHASFI-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.91
Rot. Bonds6

About 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane

1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane (PubChem CID 82788594) has the molecular formula C10H16BrF3O and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane
PubChem CID82788594
Molecular FormulaC10H16BrF3O
Molecular Weight289.13 g/mol
Exact Mass288.03
IUPAC Name1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane
SMILESFC(F)(F)CCCOCC1(CBr)CCC1
InChIInChI=1S/C10H16BrF3O/c11-7-9(3-1-4-9)8-15-6-2-5-10(12,13)14/h1-8H2
InChIKeyJKTFRTGPMHASFI-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)heptane
CID 65005937
1-(Bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclobutane
CID 65007309
4-(Bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66047621
1-(Bromomethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane
CID 66048001
4-(Bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66048525
1-(Bromomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
CID 66049312
3-(Bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 66049796
1-Bromo-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66049919
3-(Bromomethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 66050491
3-(Bromomethyl)-3-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66050660
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

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane?
The IUPAC name of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane (CID 82788594) is 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane is FC(F)(F)CCCOCC1(CBr)CCC1.
What is the InChIKey of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane?
The InChIKey is JKTFRTGPMHASFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3O/c11-7-9(3-1-4-9)8-15-6-2-5-10(12,13)14/h1-8H2.
What are the key properties of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane?
1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane has a molecular weight of 289.13 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclobutane is sourced from PubChem (CID 82788594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).