1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]

C11H16BrF — CID 135061399

IUPAC1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]
SMILESFC1(Br)CC12C1CCCCCCC12
InChIInChI=1S/C11H16BrF/c12-11(13)7-10(11)8-5-3-1-2-4-6-9(8)10/h8-9H,1-7H2
InChIKeyFBRCJKSQQNTQAD-UHFFFAOYSA-N
MW247.15 g/mol
LogP4.04
Rot. Bonds

About 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]

1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane] (PubChem CID 135061399) has the molecular formula C11H16BrF and a molecular weight of 247.15 g/mol. Its IUPAC name is 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane].

Molecular Properties

Compound Name1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]
PubChem CID135061399
Molecular FormulaC11H16BrF
Molecular Weight247.15 g/mol
Exact Mass246.04
IUPAC Name1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]
SMILESFC1(Br)CC12C1CCCCCCC12
InChIInChI=1S/C11H16BrF/c12-11(13)7-10(11)8-5-3-1-2-4-6-9(8)10/h8-9H,1-7H2
InChIKeyFBRCJKSQQNTQAD-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane] with MolForge

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Related Compounds

9,9-difluorobicyclo[6.1.0]nonane
CID 12610907
11,11-dibromobicyclo[8.1.0]undecane
CID 12759798
10,10-dibromobicyclo[7.1.0]decane
CID 12759792
CID 134889286
CID 134889286
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825
7-bromo-7-fluoro-2-oxabicyclo[4.1.0]heptane
CID 119098344
CID 134993535
CID 134993535
[(1S,2R)-2-cyclohexyl-1-fluorocyclopropyl]methanol
CID 134933667
(2-cyclohexyl-1-fluorocyclopropyl)methanol
CID 10419639
2-cyclopentyl-4,4-difluoro-2-methylpiperidine
CID 115023054
1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
CID 165443124
2-cyclohexyl-6,6-difluoro-2-azaspiro[3.3]heptane
CID 171838746

Frequently Asked Questions

What is the IUPAC name of 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]?
The IUPAC name of 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane] (CID 135061399) is 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane].
What is the SMILES notation for 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]?
The canonical SMILES for 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane] is FC1(Br)CC12C1CCCCCCC12.
What is the InChIKey of 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]?
The InChIKey is FBRCJKSQQNTQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF/c12-11(13)7-10(11)8-5-3-1-2-4-6-9(8)10/h8-9H,1-7H2.
What are the key properties of 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane]?
1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane] has a molecular weight of 247.15 g/mol, XLogP of 4.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-bromo-1'-fluorospiro[bicyclo[6.1.0]nonane-9,2'-cyclopropane] is sourced from PubChem (CID 135061399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).