[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide

C8H6BClF3- — CID 102291546

IUPAC[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
SMILESF[B-](F)(F)/C=C(/Cl)c1ccccc1
InChIInChI=1S/C8H6BClF3/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-6H/q-1/b8-6+
InChIKeyQLRMGRXNLINWNX-SOFGYWHQSA-N
MW205.40 g/mol
LogP3.65
Rot. Bonds2

About [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide

[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide (PubChem CID 102291546) has the molecular formula C8H6BClF3- and a molecular weight of 205.40 g/mol. Its IUPAC name is [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide.

Molecular Properties

Compound Name[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
PubChem CID102291546
Molecular FormulaC8H6BClF3-
Molecular Weight205.40 g/mol
Exact Mass205.02
IUPAC Name[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide
SMILESF[B-](F)(F)/C=C(/Cl)c1ccccc1
InChIInChI=1S/C8H6BClF3/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-6H/q-1/b8-6+
InChIKeyQLRMGRXNLINWNX-SOFGYWHQSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.40
LogP ≤ 53.65
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

(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218
tetrachloro-(2-chloro-2-phenylethenyl)-λ5-phosphane
CID 71388118
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
(2-chloro-2-phenylethenyl)-[4-[(2-chloro-2-phenylethenyl)-tetrafluoro-λ6-sulfanyl]phenyl]-tetrafluoro-λ6-sulfane
CID 123671632
(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
(NZ)-N-[(Z)-3-chloro-3-phenylprop-2-enylidene]hydroxylamine
CID 73010452
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
CID 135077289
[(E)-1-chloro-4-phenylbut-1-enyl]benzene
CID 22020271
benzoic acid tritetrafluoroborate
CID 173117311

Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide?
The IUPAC name of [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide (CID 102291546) is [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide.
What is the SMILES notation for [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide?
The canonical SMILES for [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide is F[B-](F)(F)/C=C(/Cl)c1ccccc1.
What is the InChIKey of [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide?
The InChIKey is QLRMGRXNLINWNX-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H6BClF3/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h1-6H/q-1/b8-6+.
What are the key properties of [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide?
[(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide has a molecular weight of 205.40 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-2-phenylethenyl]-trifluoroboranuide is sourced from PubChem (CID 102291546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).