carbanide;einsteinium;trifluoromethylbenzene

C8H7EsF3-2 — CID 162562480

IUPACcarbanide;einsteinium;trifluoromethylbenzene
SMILESFC(F)(F)c1cc[c-]cc1.[CH3-].[Es]
InChIInChI=1S/C7H4F3.CH3.Es/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H3;/q2*-1;
InChIKeyOAWXVAMMKDRHAN-UHFFFAOYSA-N
MW412.14 g/mol
LogP2.96
Rot. Bonds

About carbanide;einsteinium;trifluoromethylbenzene

carbanide;einsteinium;trifluoromethylbenzene (PubChem CID 162562480) has the molecular formula C8H7EsF3-2 and a molecular weight of 412.14 g/mol. Its IUPAC name is carbanide;einsteinium;trifluoromethylbenzene.

Molecular Properties

Compound Namecarbanide;einsteinium;trifluoromethylbenzene
PubChem CID162562480
Molecular FormulaC8H7EsF3-2
Molecular Weight412.14 g/mol
Exact Mass412.13
IUPAC Namecarbanide;einsteinium;trifluoromethylbenzene
SMILESFC(F)(F)c1cc[c-]cc1.[CH3-].[Es]
InChIInChI=1S/C7H4F3.CH3.Es/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H3;/q2*-1;
InChIKeyOAWXVAMMKDRHAN-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.14
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc;trifluoromethylbenzene;bromide
CID 171000038
magnesium;5-(trifluoromethyl)-2H-pyridin-2-ide;bromide
CID 133144467
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
trifluoromethylbenzene;zinc;hydrochloride
CID 87245768
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
CID 154390518
CID 154390518
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
sodium 1-chloro-3-(trifluoromethyl)benzene-6-ide
CID 154708341
lithium 1-methyl-2-(trifluoromethyl)benzene-4-ide
CID 87932261
chlorobenzene;trifluoromethylbenzene
CID 159341337
magnesium;1-chloro-2-(trifluoromethyl)benzene-5-ide;bromide
CID 133144507

Frequently Asked Questions

What is the IUPAC name of carbanide;einsteinium;trifluoromethylbenzene?
The IUPAC name of carbanide;einsteinium;trifluoromethylbenzene (CID 162562480) is carbanide;einsteinium;trifluoromethylbenzene.
What is the SMILES notation for carbanide;einsteinium;trifluoromethylbenzene?
The canonical SMILES for carbanide;einsteinium;trifluoromethylbenzene is FC(F)(F)c1cc[c-]cc1.[CH3-].[Es].
What is the InChIKey of carbanide;einsteinium;trifluoromethylbenzene?
The InChIKey is OAWXVAMMKDRHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3.CH3.Es/c8-7(9,10)6-4-2-1-3-5-6;;/h2-5H;1H3;/q2*-1;.
What are the key properties of carbanide;einsteinium;trifluoromethylbenzene?
carbanide;einsteinium;trifluoromethylbenzene has a molecular weight of 412.14 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;einsteinium;trifluoromethylbenzene is sourced from PubChem (CID 162562480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).