4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane

C10H18BrF3O — CID 66048525

IUPAC4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
SMILESCCC(C)(CBr)CCCOCC(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-3-9(2,7-11)5-4-6-15-8-10(12,13)14/h3-8H2,1-2H3
InChIKeyYMTRFLMDPNPUJA-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.16
Rot. Bonds7

About 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane

4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane (PubChem CID 66048525) has the molecular formula C10H18BrF3O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
PubChem CID66048525
Molecular FormulaC10H18BrF3O
Molecular Weight291.15 g/mol
Exact Mass290.05
IUPAC Name4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
SMILESCCC(C)(CBr)CCCOCC(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-3-9(2,7-11)5-4-6-15-8-10(12,13)14/h3-8H2,1-2H3
InChIKeyYMTRFLMDPNPUJA-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.16
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-(1,1-difluoroethyl)oxane
CID 132398745
1-(Bromomethyl)-3,3-difluoro-1-(methoxymethyl)cyclopentane
CID 177798607
1-Ethoxy-1,3,3-trifluoro-2,2,4,4-tetramethylhexane
CID 134243338
5-Bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 55207851
5-Bromo-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61732699
4-Bromo-5-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733104
4-Bromo-5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733925
5-Bromo-6,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 61733927
4-(1-Bromoethyl)-5-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 62916069
4-Bromo-3-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 63559951
5-Bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 63560319
6-Bromo-7,7-dimethyl-1-(2,2,2-trifluoroethoxy)octane
CID 64507886

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane (CID 66048525) is 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane is CCC(C)(CBr)CCCOCC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is YMTRFLMDPNPUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF3O/c1-3-9(2,7-11)5-4-6-15-8-10(12,13)14/h3-8H2,1-2H3.
What are the key properties of 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane?
4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 291.15 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 66048525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).