2-bromo-1,1-difluoro-3-methylcyclopropane

C4H5BrF2 — CID 178201013

IUPAC2-bromo-1,1-difluoro-3-methylcyclopropane
SMILESCC1C(Br)C1(F)F
InChIInChI=1S/C4H5BrF2/c1-2-3(5)4(2,6)7/h2-3H,1H3
InChIKeyNGEDTNBUWLNIOD-UHFFFAOYSA-N
MW170.98 g/mol
LogP2.03
Rot. Bonds

About 2-bromo-1,1-difluoro-3-methylcyclopropane

2-bromo-1,1-difluoro-3-methylcyclopropane (PubChem CID 178201013) has the molecular formula C4H5BrF2 and a molecular weight of 170.98 g/mol. Its IUPAC name is 2-bromo-1,1-difluoro-3-methylcyclopropane.

Molecular Properties

Compound Name2-bromo-1,1-difluoro-3-methylcyclopropane
PubChem CID178201013
Molecular FormulaC4H5BrF2
Molecular Weight170.98 g/mol
Exact Mass169.95
IUPAC Name2-bromo-1,1-difluoro-3-methylcyclopropane
SMILESCC1C(Br)C1(F)F
InChIInChI=1S/C4H5BrF2/c1-2-3(5)4(2,6)7/h2-3H,1H3
InChIKeyNGEDTNBUWLNIOD-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.98
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-bromo-1,1-difluoro-3-methylcyclopropane 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

trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride
CID 168955835
cis-(1S,3S)-2-bromo-1-ethynyl-1,3-dimethylcyclopropane
CID 131208160
2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
CID 90058200
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913
1,1-difluoro-2,4,6-trimethylcyclohexane
CID 161062505
3-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 130115031
cis-(2R,3S)-1-bromo-2,3-dimethylcyclopropane
CID 97302884
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845218
(1S,2S,5S)-6,6-difluoro-3,5-dimethylcyclohex-3-ene-1,2-diol
CID 134856355
(3R,4R,5R)-2-bromo-5-ethyl-3-fluoro-3,4-dimethyloxolane;(3R,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-ol
CID 159751594
CID 90347966
CID 90347966

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-difluoro-3-methylcyclopropane?
The IUPAC name of 2-bromo-1,1-difluoro-3-methylcyclopropane (CID 178201013) is 2-bromo-1,1-difluoro-3-methylcyclopropane.
What is the SMILES notation for 2-bromo-1,1-difluoro-3-methylcyclopropane?
The canonical SMILES for 2-bromo-1,1-difluoro-3-methylcyclopropane is CC1C(Br)C1(F)F.
What is the InChIKey of 2-bromo-1,1-difluoro-3-methylcyclopropane?
The InChIKey is NGEDTNBUWLNIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF2/c1-2-3(5)4(2,6)7/h2-3H,1H3.
What are the key properties of 2-bromo-1,1-difluoro-3-methylcyclopropane?
2-bromo-1,1-difluoro-3-methylcyclopropane has a molecular weight of 170.98 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-difluoro-3-methylcyclopropane is sourced from PubChem (CID 178201013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).