1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane

C10H13BrF6O — CID 102722035

IUPAC1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane
SMILESFC(F)(F)C(OCC1(CBr)CCCC1)C(F)(F)F
InChIInChI=1S/C10H13BrF6O/c11-5-8(3-1-2-4-8)6-18-7(9(12,13)14)10(15,16)17/h7H,1-6H2
InChIKeyHHDRMQZRQCVCFP-UHFFFAOYSA-N
MW343.11 g/mol
LogP4.45
Rot. Bonds4

About 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane

1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane (PubChem CID 102722035) has the molecular formula C10H13BrF6O and a molecular weight of 343.11 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane
PubChem CID102722035
Molecular FormulaC10H13BrF6O
Molecular Weight343.11 g/mol
Exact Mass342.01
IUPAC Name1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane
SMILESFC(F)(F)C(OCC1(CBr)CCCC1)C(F)(F)F
InChIInChI=1S/C10H13BrF6O/c11-5-8(3-1-2-4-8)6-18-7(9(12,13)14)10(15,16)17/h7H,1-6H2
InChIKeyHHDRMQZRQCVCFP-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane (CID 102722035) is 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane is FC(F)(F)C(OCC1(CBr)CCCC1)C(F)(F)F.
What is the InChIKey of 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane?
The InChIKey is HHDRMQZRQCVCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF6O/c11-5-8(3-1-2-4-8)6-18-7(9(12,13)14)10(15,16)17/h7H,1-6H2.
What are the key properties of 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane?
1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane has a molecular weight of 343.11 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)cyclopentane is sourced from PubChem (CID 102722035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).