3-(bromomethyl)-1,1-difluoropentane

C6H11BrF2 — CID 122164154

IUPAC3-(bromomethyl)-1,1-difluoropentane
SMILESCCC(CBr)CC(F)F
InChIInChI=1S/C6H11BrF2/c1-2-5(4-7)3-6(8)9/h5-6H,2-4H2,1H3
InChIKeyHTGHQWCWMVPWOA-UHFFFAOYSA-N
MW201.05 g/mol
LogP3.06
Rot. Bonds4

About 3-(bromomethyl)-1,1-difluoropentane

3-(bromomethyl)-1,1-difluoropentane (PubChem CID 122164154) has the molecular formula C6H11BrF2 and a molecular weight of 201.05 g/mol. Its IUPAC name is 3-(bromomethyl)-1,1-difluoropentane.

Molecular Properties

Compound Name3-(bromomethyl)-1,1-difluoropentane
PubChem CID122164154
Molecular FormulaC6H11BrF2
Molecular Weight201.05 g/mol
Exact Mass200.00
IUPAC Name3-(bromomethyl)-1,1-difluoropentane
SMILESCCC(CBr)CC(F)F
InChIInChI=1S/C6H11BrF2/c1-2-5(4-7)3-6(8)9/h5-6H,2-4H2,1H3
InChIKeyHTGHQWCWMVPWOA-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-1,1-difluoropentane?
The IUPAC name of 3-(bromomethyl)-1,1-difluoropentane (CID 122164154) is 3-(bromomethyl)-1,1-difluoropentane.
What is the SMILES notation for 3-(bromomethyl)-1,1-difluoropentane?
The canonical SMILES for 3-(bromomethyl)-1,1-difluoropentane is CCC(CBr)CC(F)F.
What is the InChIKey of 3-(bromomethyl)-1,1-difluoropentane?
The InChIKey is HTGHQWCWMVPWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrF2/c1-2-5(4-7)3-6(8)9/h5-6H,2-4H2,1H3.
What are the key properties of 3-(bromomethyl)-1,1-difluoropentane?
3-(bromomethyl)-1,1-difluoropentane has a molecular weight of 201.05 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1,1-difluoropentane is sourced from PubChem (CID 122164154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).