6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane

C10H18BrF3O — CID 64719925

IUPAC6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
SMILESCC(Br)CC(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-8(6-9(2)11)4-3-5-15-7-10(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyGWJGTDAFELABOO-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.16
Rot. Bonds7

About 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane

6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane (PubChem CID 64719925) has the molecular formula C10H18BrF3O and a molecular weight of 291.15 g/mol. Its IUPAC name is 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane.

Molecular Properties

Compound Name6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
PubChem CID64719925
Molecular FormulaC10H18BrF3O
Molecular Weight291.15 g/mol
Exact Mass290.05
IUPAC Name6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
SMILESCC(Br)CC(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-8(6-9(2)11)4-3-5-15-7-10(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyGWJGTDAFELABOO-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

(1,2-Dibromo-2-ethoxy-3,3,3-trifluoropropyl)cyclohexane
CID 15398555
1-(Bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)cyclohexane
CID 19099388
1-Bromo-4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 55192263
1-Bromo-4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 55194357
5-Bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 55207851
4-Bromo-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 61732283
4-Bromo-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 61732497
5-Bromo-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61732699
4-Bromo-5-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733104
1-Bromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptane
CID 61733110
4-Bromo-1-(2,2,2-trifluoroethoxy)heptane
CID 61733305
5-Bromo-6-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 61733309

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane?
The IUPAC name of 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane (CID 64719925) is 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane.
What is the SMILES notation for 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane?
The canonical SMILES for 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane is CC(Br)CC(C)CCCOCC(F)(F)F.
What is the InChIKey of 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane?
The InChIKey is GWJGTDAFELABOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF3O/c1-8(6-9(2)11)4-3-5-15-7-10(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane?
6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane 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 6-bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane is sourced from PubChem (CID 64719925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).