(4-ethylphenyl)-trifluoroboranuide

C8H9BF3- — CID 63675814

IUPAC(4-ethylphenyl)-trifluoroboranuide
SMILESCCc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C8H9BF3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H3/q-1
InChIKeyQZDKMAWKHJTTNB-UHFFFAOYSA-N
MW172.97 g/mol
LogP2.30
Rot. Bonds2

About (4-ethylphenyl)-trifluoroboranuide

(4-ethylphenyl)-trifluoroboranuide (PubChem CID 63675814) has the molecular formula C8H9BF3- and a molecular weight of 172.97 g/mol. Its IUPAC name is (4-ethylphenyl)-trifluoroboranuide.

Molecular Properties

Compound Name(4-ethylphenyl)-trifluoroboranuide
PubChem CID63675814
Molecular FormulaC8H9BF3-
Molecular Weight172.97 g/mol
Exact Mass173.08
IUPAC Name(4-ethylphenyl)-trifluoroboranuide
SMILESCCc1ccc([B-](F)(F)F)cc1
InChIInChI=1S/C8H9BF3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H3/q-1
InChIKeyQZDKMAWKHJTTNB-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.97
LogP ≤ 52.30
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

1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane;methane
CID 166131756
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
(4-ethylphenyl)-diphenylazanium tetrafluoroborate
CID 142696974
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
CID 57436075
CID 57436075
1-ethyl-4-methylbenzene;propane
CID 144580802
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1,4-diethylbenzene;heptane
CID 175370860

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-trifluoroboranuide?
The IUPAC name of (4-ethylphenyl)-trifluoroboranuide (CID 63675814) is (4-ethylphenyl)-trifluoroboranuide.
What is the SMILES notation for (4-ethylphenyl)-trifluoroboranuide?
The canonical SMILES for (4-ethylphenyl)-trifluoroboranuide is CCc1ccc([B-](F)(F)F)cc1.
What is the InChIKey of (4-ethylphenyl)-trifluoroboranuide?
The InChIKey is QZDKMAWKHJTTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BF3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H3/q-1.
What are the key properties of (4-ethylphenyl)-trifluoroboranuide?
(4-ethylphenyl)-trifluoroboranuide has a molecular weight of 172.97 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-trifluoroboranuide is sourced from PubChem (CID 63675814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).