[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane

C9H11BF6 — CID 157423256

IUPAC[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane
SMILESC.[BH3-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[H+]
InChIInChI=1S/C8H6BF6.CH4/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15;/h1-3H,9H3;1H4/q-1;/p+1
InChIKeyBPQTVEIKAWBUEC-UHFFFAOYSA-O
MW243.99 g/mol
LogP2.46
Rot. Bonds

About [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane

[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane (PubChem CID 157423256) has the molecular formula C9H11BF6 and a molecular weight of 243.99 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane
PubChem CID157423256
Molecular FormulaC9H11BF6
Molecular Weight243.99 g/mol
Exact Mass244.09
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane
SMILESC.[BH3-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[H+]
InChIInChI=1S/C8H6BF6.CH4/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15;/h1-3H,9H3;1H4/q-1;/p+1
InChIKeyBPQTVEIKAWBUEC-UHFFFAOYSA-O
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.99
LogP ≤ 52.46
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

[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
CID 87457276
CID 87457276
CID 10890130
CID 10890130
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
CID 174741615
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
tris[3,5-bis(trifluoromethyl)phenyl]arsane
CID 71356716
lithium [3,5-bis(trifluoromethyl)phenyl]azanide
CID 132500492
1-N,1-N,3-N,3-N,5-N,5-N-hexakis[3,5-bis(trifluoromethyl)phenyl]benzene-1,3,5-triamine
CID 58868333
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane (CID 157423256) is [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane is C.[BH3-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1.[H+].
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane?
The InChIKey is BPQTVEIKAWBUEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6BF6.CH4/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15;/h1-3H,9H3;1H4/q-1;/p+1.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane?
[3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane has a molecular weight of 243.99 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]boranuide;hydron;methane is sourced from PubChem (CID 157423256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).