3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane

C10H18BrF3O — CID 66049796

IUPAC3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
SMILESCCC(CC)(CBr)CCOCC(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-3-9(4-2,7-11)5-6-15-8-10(12,13)14/h3-8H2,1-2H3
InChIKeyJGBYNGQHQDGJPP-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.16
Rot. Bonds7

About 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane

3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane (PubChem CID 66049796) has the molecular formula C10H18BrF3O and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
PubChem CID66049796
Molecular FormulaC10H18BrF3O
Molecular Weight291.15 g/mol
Exact Mass290.05
IUPAC Name3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
SMILESCCC(CC)(CBr)CCOCC(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-3-9(4-2,7-11)5-6-15-8-10(12,13)14/h3-8H2,1-2H3
InChIKeyJGBYNGQHQDGJPP-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
4-(Bromomethyl)-4-(difluoromethyl)oxane
CID 165605981
1-[2-(Bromomethyl)-3-methoxy-2-methylpropoxy]-2-methyl-2-(2,2,2-trifluoroethoxymethyl)butane
CID 89691782
1-(1,1-Difluoroethoxy)-4-fluoro-3,3-dimethylpentane
CID 175617783
4-Bromo-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 61732283
4-Bromo-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 61732497
4-Bromo-5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733925
6-Bromo-4,4-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 64717066
3-(Bromomethyl)-3-(2,2,2-trifluoroethoxymethyl)pentane
CID 64998466
4-(Bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)heptane
CID 65005937
1-Bromo-3,3-dimethyl-2-(2,2,2-trifluoroethoxymethyl)butane
CID 65016304
1-Bromo-3-methyl-5-(2,2,2-trifluoroethoxy)pentane
CID 65653224

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane (CID 66049796) is 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane is CCC(CC)(CBr)CCOCC(F)(F)F.
What is the InChIKey of 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is JGBYNGQHQDGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF3O/c1-3-9(4-2,7-11)5-6-15-8-10(12,13)14/h3-8H2,1-2H3.
What are the key properties of 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane?
3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane 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 3-(bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 66049796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).