potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide

C10H17BF3K — CID 135043778

IUPACpotassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide
SMILESC[C@H]1CC[C@@H]2[C@H]([C@@H]1[B-](F)(F)F)C2(C)C.[K+]
InChIInChI=1S/C10H17BF3.K/c1-6-4-5-7-8(10(7,2)3)9(6)11(12,13)14;/h6-9H,4-5H2,1-3H3;/q-1;+1/t6-,7+,8+,9+;/m0./s1
InChIKeyNHGNHDHBQVLZIR-WWTDWBKBSA-N
MW244.15 g/mol
LogP0.91
Rot. Bonds1

About potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide

potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide (PubChem CID 135043778) has the molecular formula C10H17BF3K and a molecular weight of 244.15 g/mol. Its IUPAC name is potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide
PubChem CID135043778
Molecular FormulaC10H17BF3K
Molecular Weight244.15 g/mol
Exact Mass244.10
IUPAC Namepotassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide
SMILESC[C@H]1CC[C@@H]2[C@H]([C@@H]1[B-](F)(F)F)C2(C)C.[K+]
InChIInChI=1S/C10H17BF3.K/c1-6-4-5-7-8(10(7,2)3)9(6)11(12,13)14;/h6-9H,4-5H2,1-3H3;/q-1;+1/t6-,7+,8+,9+;/m0./s1
InChIKeyNHGNHDHBQVLZIR-WWTDWBKBSA-N
XLogP0.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide with MolForge

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Related Compounds

3,7,7-trimethylbicyclo[4.1.0]heptan-2-amine
CID 87633849
(1aR,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 171038638
methoxy-bis[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]borane
CID 11141614
(1aS,4R,4aS,7S,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
CID 162940151
(1aR,4R,4aR,7aS,7bR)-1,1,4-trimethyl-7-methylidene-2,3,4,4a,5,6,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 15775267
3,3,4,5-tetramethyl-2-(4-methylcyclohexyl)-1,2,3a,4,5,6,7,7a-octahydroindene
CID 123565546
3-(3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl)but-2-enenitrile
CID 54163825
2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
[(1aR,3aS,4S,7R,7aS,7bR)-1,1,3a,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[a]naphthalen-4-yl]-methylazanide
CID 163135876
N-(1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl)formamide
CID 23425053
(1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
CID 91746456
(1aR,4S,7S,7aR,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,6,7,7a,7b-octahydrocyclopropa[e]azulene
CID 163060708

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide?
The IUPAC name of potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide (CID 135043778) is potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide.
What is the SMILES notation for potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide?
The canonical SMILES for potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide is C[C@H]1CC[C@@H]2[C@H]([C@@H]1[B-](F)(F)F)C2(C)C.[K+].
What is the InChIKey of potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide?
The InChIKey is NHGNHDHBQVLZIR-WWTDWBKBSA-N. The full InChI is InChI=1S/C10H17BF3.K/c1-6-4-5-7-8(10(7,2)3)9(6)11(12,13)14;/h6-9H,4-5H2,1-3H3;/q-1;+1/t6-,7+,8+,9+;/m0./s1.
What are the key properties of potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide?
potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide has a molecular weight of 244.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[(1S,2R,3S,6R)-3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl]boranuide is sourced from PubChem (CID 135043778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).