3-bromo-6,6-difluorobicyclo[3.1.0]hexane

C6H7BrF2 — CID 130115031

IUPAC3-bromo-6,6-difluorobicyclo[3.1.0]hexane
SMILESFC1(F)C2CC(Br)CC21
InChIInChI=1S/C6H7BrF2/c7-3-1-4-5(2-3)6(4,8)9/h3-5H,1-2H2
InChIKeyMEDYVHRNUPESTK-UHFFFAOYSA-N
MW197.02 g/mol
LogP2.42
Rot. Bonds

About 3-bromo-6,6-difluorobicyclo[3.1.0]hexane

3-bromo-6,6-difluorobicyclo[3.1.0]hexane (PubChem CID 130115031) has the molecular formula C6H7BrF2 and a molecular weight of 197.02 g/mol. Its IUPAC name is 3-bromo-6,6-difluorobicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-bromo-6,6-difluorobicyclo[3.1.0]hexane
PubChem CID130115031
Molecular FormulaC6H7BrF2
Molecular Weight197.02 g/mol
Exact Mass195.97
IUPAC Name3-bromo-6,6-difluorobicyclo[3.1.0]hexane
SMILESFC1(F)C2CC(Br)CC21
InChIInChI=1S/C6H7BrF2/c7-3-1-4-5(2-3)6(4,8)9/h3-5H,1-2H2
InChIKeyMEDYVHRNUPESTK-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
CID 134438278
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde
CID 23532969
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
CID 130054075
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
CID 164655478
(1R,5S)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 51900833
9,9-difluorobicyclo[6.1.0]nonane
CID 12610907
2-[(5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 157031019
2-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 155973442
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
1-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)methyl]pyrrole
CID 164655464
2-bromo-1,1-difluoro-3-methylcyclopropane
CID 178201013

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6,6-difluorobicyclo[3.1.0]hexane?
The IUPAC name of 3-bromo-6,6-difluorobicyclo[3.1.0]hexane (CID 130115031) is 3-bromo-6,6-difluorobicyclo[3.1.0]hexane.
What is the SMILES notation for 3-bromo-6,6-difluorobicyclo[3.1.0]hexane?
The canonical SMILES for 3-bromo-6,6-difluorobicyclo[3.1.0]hexane is FC1(F)C2CC(Br)CC21.
What is the InChIKey of 3-bromo-6,6-difluorobicyclo[3.1.0]hexane?
The InChIKey is MEDYVHRNUPESTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2/c7-3-1-4-5(2-3)6(4,8)9/h3-5H,1-2H2.
What are the key properties of 3-bromo-6,6-difluorobicyclo[3.1.0]hexane?
3-bromo-6,6-difluorobicyclo[3.1.0]hexane has a molecular weight of 197.02 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6,6-difluorobicyclo[3.1.0]hexane is sourced from PubChem (CID 130115031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).