1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane

C9H15BrF2O — CID 82004252

IUPAC1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane
SMILESFC(F)COCC1(CBr)CCCC1
InChIInChI=1S/C9H15BrF2O/c10-6-9(3-1-2-4-9)7-13-5-8(11)12/h8H,1-7H2
InChIKeyKGAZJSSSLDWHKJ-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.22
Rot. Bonds5

About 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane

1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane (PubChem CID 82004252) has the molecular formula C9H15BrF2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane
PubChem CID82004252
Molecular FormulaC9H15BrF2O
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane
SMILESFC(F)COCC1(CBr)CCCC1
InChIInChI=1S/C9H15BrF2O/c10-6-9(3-1-2-4-9)7-13-5-8(11)12/h8H,1-7H2
InChIKeyKGAZJSSSLDWHKJ-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.22
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 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane (CID 82004252) is 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane is FC(F)COCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane?
The InChIKey is KGAZJSSSLDWHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF2O/c10-6-9(3-1-2-4-9)7-13-5-8(11)12/h8H,1-7H2.
What are the key properties of 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane?
1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane has a molecular weight of 257.12 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2,2-difluoroethoxymethyl)cyclopentane is sourced from PubChem (CID 82004252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).