[(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide

C6H8BF6- — CID 167725936

IUPAC[(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide
SMILESCC1(C)[C@H]([B-](F)(F)F)[C@H]1C(F)(F)F
InChIInChI=1S/C6H8BF6/c1-5(2)3(6(8,9)10)4(5)7(11,12)13/h3-4H,1-2H3/q-1/t3-,4-/m1/s1
InChIKeyMTVRZGAYDCWCIF-QWWZWVQMSA-N
MW204.93 g/mol
LogP3.42
Rot. Bonds1

About [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide

[(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide (PubChem CID 167725936) has the molecular formula C6H8BF6- and a molecular weight of 204.93 g/mol. Its IUPAC name is [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide.

Molecular Properties

Compound Name[(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide
PubChem CID167725936
Molecular FormulaC6H8BF6-
Molecular Weight204.93 g/mol
Exact Mass205.06
IUPAC Name[(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide
SMILESCC1(C)[C@H]([B-](F)(F)F)[C@H]1C(F)(F)F
InChIInChI=1S/C6H8BF6/c1-5(2)3(6(8,9)10)4(5)7(11,12)13/h3-4H,1-2H3/q-1/t3-,4-/m1/s1
InChIKeyMTVRZGAYDCWCIF-QWWZWVQMSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.93
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide?
The IUPAC name of [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide (CID 167725936) is [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide.
What is the SMILES notation for [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide?
The canonical SMILES for [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide is CC1(C)[C@H]([B-](F)(F)F)[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide?
The InChIKey is MTVRZGAYDCWCIF-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H8BF6/c1-5(2)3(6(8,9)10)4(5)7(11,12)13/h3-4H,1-2H3/q-1/t3-,4-/m1/s1.
What are the key properties of [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide?
[(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide has a molecular weight of 204.93 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-2,2-dimethyl-3-(trifluoromethyl)cyclopropyl]-trifluoroboranuide is sourced from PubChem (CID 167725936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).