trifluoromethylborane

CH2BF3 — CID 101394107

IUPACtrifluoromethylborane
SMILESBC(F)(F)F
InChIInChI=1S/CH2BF3/c2-1(3,4)5/h2H2
InChIKeyZTQKPRVTRJMYOE-UHFFFAOYSA-N
MW81.83 g/mol
LogP0.14
Rot. Bonds

About trifluoromethylborane

trifluoromethylborane (PubChem CID 101394107) has the molecular formula CH2BF3 and a molecular weight of 81.83 g/mol. Its IUPAC name is trifluoromethylborane.

Molecular Properties

Compound Nametrifluoromethylborane
PubChem CID101394107
Molecular FormulaCH2BF3
Molecular Weight81.83 g/mol
Exact Mass82.02
IUPAC Nametrifluoromethylborane
SMILESBC(F)(F)F
InChIInChI=1S/CH2BF3/c2-1(3,4)5/h2H2
InChIKeyZTQKPRVTRJMYOE-UHFFFAOYSA-N
XLogP0.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.83
LogP ≤ 50.14
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

CID 87149172
CID 87149172
CID 157306747
CID 157306747
iron;tetrafluoromethane
CID 87267345
1,1,1-trifluoroethane
CID 9868
CID 154082726
CID 154082726
trifluoromethanethiolate
CID 23432824
1,1,1-trifluoroethane
CID 91327996
argon;tetrafluoromethane;hydrate
CID 160629038
2,2-difluoropropane
CID 160894634
manganese;bis(oxygen(2-));tetrafluoromethane
CID 159554496
1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
1,1,1-trifluoroethane trichloride
CID 159910186

Frequently Asked Questions

What is the IUPAC name of trifluoromethylborane?
The IUPAC name of trifluoromethylborane (CID 101394107) is trifluoromethylborane.
What is the SMILES notation for trifluoromethylborane?
The canonical SMILES for trifluoromethylborane is BC(F)(F)F.
What is the InChIKey of trifluoromethylborane?
The InChIKey is ZTQKPRVTRJMYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2BF3/c2-1(3,4)5/h2H2.
What are the key properties of trifluoromethylborane?
trifluoromethylborane has a molecular weight of 81.83 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethylborane is sourced from PubChem (CID 101394107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).