4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene

C9H13BrF2 — CID 165446155

IUPAC4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene
SMILESCC(F)(F)CC1(CBr)CC=CC1
InChIInChI=1S/C9H13BrF2/c1-8(11,12)6-9(7-10)4-2-3-5-9/h2-3H,4-7H2,1H3
InChIKeyRQABCQDYCHSVFV-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.76
Rot. Bonds3

About 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene

4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene (PubChem CID 165446155) has the molecular formula C9H13BrF2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene.

Molecular Properties

Compound Name4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene
PubChem CID165446155
Molecular FormulaC9H13BrF2
Molecular Weight239.10 g/mol
Exact Mass238.02
IUPAC Name4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene
SMILESCC(F)(F)CC1(CBr)CC=CC1
InChIInChI=1S/C9H13BrF2/c1-8(11,12)6-9(7-10)4-2-3-5-9/h2-3H,4-7H2,1H3
InChIKeyRQABCQDYCHSVFV-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene?
The IUPAC name of 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene (CID 165446155) is 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene.
What is the SMILES notation for 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene?
The canonical SMILES for 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene is CC(F)(F)CC1(CBr)CC=CC1.
What is the InChIKey of 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene?
The InChIKey is RQABCQDYCHSVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF2/c1-8(11,12)6-9(7-10)4-2-3-5-9/h2-3H,4-7H2,1H3.
What are the key properties of 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene?
4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene has a molecular weight of 239.10 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene is sourced from PubChem (CID 165446155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).