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

C9H15BrF2O — CID 165493036

IUPAC1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
SMILESCC(F)(F)COC1(CBr)CCCC1
InChIInChI=1S/C9H15BrF2O/c1-8(11,12)7-13-9(6-10)4-2-3-5-9/h2-7H2,1H3
InChIKeyMQVCZDVBQPBOLG-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.37
Rot. Bonds4

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

1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane (PubChem CID 165493036) has the molecular formula C9H15BrF2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
PubChem CID165493036
Molecular FormulaC9H15BrF2O
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane
SMILESCC(F)(F)COC1(CBr)CCCC1
InChIInChI=1S/C9H15BrF2O/c1-8(11,12)7-13-9(6-10)4-2-3-5-9/h2-7H2,1H3
InChIKeyMQVCZDVBQPBOLG-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane with MolForge

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

Launch Full Analysis

Related Compounds

1-(bromomethyl)-1-(2-methoxy-2-methylpropoxy)cycloheptane
CID 165493676
1-(bromomethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopentane
CID 112589326
1-(bromomethyl)-1-methoxycycloheptane
CID 62113509
1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
CID 62112037
1-(bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 62107098
1-(bromomethyl)-1-(2-cyclopropylethoxy)cyclohexane
CID 106204781
1-(bromomethyl)-1-(3-cyclopropylpropoxy)cyclopentane
CID 165489609
4-O-(2,2-difluoropropyl) 1-O-(1-ethylcyclopentyl) 2-ethyl-2-methylbutanedioate
CID 70934689
1-(2,2-dimethylbutoxy)-1-ethylcyclopentane
CID 88993752
4-(bromomethyl)-4-(3-methoxy-3-methylbutoxy)oxane
CID 106666883
1-(bromomethyl)-1-(trifluoromethyl)cyclopentane
CID 121208299
1-(2,2-dimethylpentoxy)-1-ethylcyclopentane
CID 144690615

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane (CID 165493036) is 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane is CC(F)(F)COC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane?
The InChIKey is MQVCZDVBQPBOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF2O/c1-8(11,12)7-13-9(6-10)4-2-3-5-9/h2-7H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane?
1-(bromomethyl)-1-(2,2-difluoropropoxy)cyclopentane has a molecular weight of 257.12 g/mol, XLogP of 3.37, 4 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-difluoropropoxy)cyclopentane is sourced from PubChem (CID 165493036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).