(4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane

C10H16BF — CID 123851992

IUPAC(4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane
SMILESC=BC1(C)CC2C(C)C2CC1F
InChIInChI=1S/C10H16BF/c1-6-7-4-9(12)10(2,11-3)5-8(6)7/h6-9H,3-5H2,1-2H3
InChIKeyJQPPCKHNALUJFL-UHFFFAOYSA-N
MW166.05 g/mol
LogP2.32
Rot. Bonds1

About (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane

(4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane (PubChem CID 123851992) has the molecular formula C10H16BF and a molecular weight of 166.05 g/mol. Its IUPAC name is (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane.

Molecular Properties

Compound Name(4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane
PubChem CID123851992
Molecular FormulaC10H16BF
Molecular Weight166.05 g/mol
Exact Mass166.13
IUPAC Name(4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane
SMILESC=BC1(C)CC2C(C)C2CC1F
InChIInChI=1S/C10H16BF/c1-6-7-4-9(12)10(2,11-3)5-8(6)7/h6-9H,3-5H2,1-2H3
InChIKeyJQPPCKHNALUJFL-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-3,3-difluoro-6-methylbicyclo[3.1.0]hexane
CID 159654618
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
4,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 142502151
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
CID 91082201
2,4,9-trimethyladamantane
CID 140700120
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
CID 14433721
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
2-(2-ethyl-2-methylcyclopropyl)-3-methylbicyclo[2.1.0]pentane
CID 123925093
(3,5-dimethylcyclohexyl)-(2-fluoro-1-methylcyclopropyl)methanone
CID 131000783
3-(2,3-dimethylcyclopropyl)-1,1-difluorocyclobutane
CID 166798484

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane?
The IUPAC name of (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane (CID 123851992) is (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane.
What is the SMILES notation for (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane?
The canonical SMILES for (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane is C=BC1(C)CC2C(C)C2CC1F.
What is the InChIKey of (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane?
The InChIKey is JQPPCKHNALUJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BF/c1-6-7-4-9(12)10(2,11-3)5-8(6)7/h6-9H,3-5H2,1-2H3.
What are the key properties of (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane?
(4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane has a molecular weight of 166.05 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,7-dimethyl-3-bicyclo[4.1.0]heptanyl)-methylideneborane is sourced from PubChem (CID 123851992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).