potassium 5-cyclopropyl-1,2,3-trifluorobenzene

C9H6F3K — CID 167407813

IUPACpotassium 5-cyclopropyl-1,2,3-trifluorobenzene
SMILESFc1cc(C2[CH-]C2)cc(F)c1F.[K+]
InChIInChI=1S/C9H6F3.K/c10-7-3-6(5-1-2-5)4-8(11)9(7)12;/h1,3-5H,2H2;/q-1;+1
InChIKeyXURWMXHWJLJMNQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.20
Rot. Bonds1

About potassium 5-cyclopropyl-1,2,3-trifluorobenzene

potassium 5-cyclopropyl-1,2,3-trifluorobenzene (PubChem CID 167407813) has the molecular formula C9H6F3K and a molecular weight of 210.24 g/mol. Its IUPAC name is potassium 5-cyclopropyl-1,2,3-trifluorobenzene.

Molecular Properties

Compound Namepotassium 5-cyclopropyl-1,2,3-trifluorobenzene
PubChem CID167407813
Molecular FormulaC9H6F3K
Molecular Weight210.24 g/mol
Exact Mass210.01
IUPAC Namepotassium 5-cyclopropyl-1,2,3-trifluorobenzene
SMILESFc1cc(C2[CH-]C2)cc(F)c1F.[K+]
InChIInChI=1S/C9H6F3.K/c10-7-3-6(5-1-2-5)4-8(11)9(7)12;/h1,3-5H,2H2;/q-1;+1
InChIKeyXURWMXHWJLJMNQ-UHFFFAOYSA-N
XLogP-0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

potassium trifluoro-[(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropyl]boranuide
CID 162342116
2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene
CID 68804796
2-(3,4,5-trifluorophenyl)-3,6-dihydro-2H-pyran
CID 143335161
4-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 19746986
3,4,5-trifluorophenol
CID 2777943
trans-(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 95003995
4-[4-(3,4,5-trifluorophenyl)cyclohexyl]cyclohexan-1-amine
CID 152934815
4-(3,4,5-trifluorophenyl)cyclohexane-1-carbaldehyde
CID 19039181
2-oxo-4-(3,4,5-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 67633399
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
1-cyclohexyl-4-(3,4,5-trifluorophenyl)cycloheptane
CID 134447912
(1R,5S)-3-(3,4,5-trifluorophenyl)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 101361663

Frequently Asked Questions

What is the IUPAC name of potassium 5-cyclopropyl-1,2,3-trifluorobenzene?
The IUPAC name of potassium 5-cyclopropyl-1,2,3-trifluorobenzene (CID 167407813) is potassium 5-cyclopropyl-1,2,3-trifluorobenzene.
What is the SMILES notation for potassium 5-cyclopropyl-1,2,3-trifluorobenzene?
The canonical SMILES for potassium 5-cyclopropyl-1,2,3-trifluorobenzene is Fc1cc(C2[CH-]C2)cc(F)c1F.[K+].
What is the InChIKey of potassium 5-cyclopropyl-1,2,3-trifluorobenzene?
The InChIKey is XURWMXHWJLJMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3.K/c10-7-3-6(5-1-2-5)4-8(11)9(7)12;/h1,3-5H,2H2;/q-1;+1.
What are the key properties of potassium 5-cyclopropyl-1,2,3-trifluorobenzene?
potassium 5-cyclopropyl-1,2,3-trifluorobenzene has a molecular weight of 210.24 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-cyclopropyl-1,2,3-trifluorobenzene is sourced from PubChem (CID 167407813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).