3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane

C10H18BrF3O — CID 66276317

IUPAC3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane
SMILESCCC(CC)(CBr)COC(C)C(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-4-9(5-2,6-11)7-15-8(3)10(12,13)14/h8H,4-7H2,1-3H3
InChIKeyIENYERKTZXCHOX-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.16
Rot. Bonds6

About 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane

3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane (PubChem CID 66276317) has the molecular formula C10H18BrF3O and a molecular weight of 291.15 g/mol. Its IUPAC name is 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane.

Molecular Properties

Compound Name3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane
PubChem CID66276317
Molecular FormulaC10H18BrF3O
Molecular Weight291.15 g/mol
Exact Mass290.05
IUPAC Name3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane
SMILESCCC(CC)(CBr)COC(C)C(F)(F)F
InChIInChI=1S/C10H18BrF3O/c1-4-9(5-2,6-11)7-15-8(3)10(12,13)14/h8H,4-7H2,1-3H3
InChIKeyIENYERKTZXCHOX-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane?
The IUPAC name of 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane (CID 66276317) is 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane.
What is the SMILES notation for 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane?
The canonical SMILES for 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane is CCC(CC)(CBr)COC(C)C(F)(F)F.
What is the InChIKey of 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane?
The InChIKey is IENYERKTZXCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF3O/c1-4-9(5-2,6-11)7-15-8(3)10(12,13)14/h8H,4-7H2,1-3H3.
What are the key properties of 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane?
3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane has a molecular weight of 291.15 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-3-(1,1,1-trifluoropropan-2-yloxymethyl)pentane is sourced from PubChem (CID 66276317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).