(2-ethylcyclohexyl)-trifluoroboranuide

C8H15BF3- — CID 63861701

IUPAC(2-ethylcyclohexyl)-trifluoroboranuide
SMILESCCC1CCCCC1[B-](F)(F)F
InChIInChI=1S/C8H15BF3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h7-8H,2-6H2,1H3/q-1
InChIKeyZLDZBOZDDCLLPA-UHFFFAOYSA-N
MW179.01 g/mol
LogP3.80
Rot. Bonds2

About (2-ethylcyclohexyl)-trifluoroboranuide

(2-ethylcyclohexyl)-trifluoroboranuide (PubChem CID 63861701) has the molecular formula C8H15BF3- and a molecular weight of 179.01 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-trifluoroboranuide.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-trifluoroboranuide
PubChem CID63861701
Molecular FormulaC8H15BF3-
Molecular Weight179.01 g/mol
Exact Mass179.12
IUPAC Name(2-ethylcyclohexyl)-trifluoroboranuide
SMILESCCC1CCCCC1[B-](F)(F)F
InChIInChI=1S/C8H15BF3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h7-8H,2-6H2,1H3/q-1
InChIKeyZLDZBOZDDCLLPA-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 53.80
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

CID 160611346
CID 160611346
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
carbonic acid;1,2-diethylcyclohexane
CID 70579518
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
1,2,16-triethyl-15-methylcyclopentatriacontane
CID 123855410
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
2-ethylcyclohexane-1-sulfonyl chloride
CID 63863375

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-trifluoroboranuide?
The IUPAC name of (2-ethylcyclohexyl)-trifluoroboranuide (CID 63861701) is (2-ethylcyclohexyl)-trifluoroboranuide.
What is the SMILES notation for (2-ethylcyclohexyl)-trifluoroboranuide?
The canonical SMILES for (2-ethylcyclohexyl)-trifluoroboranuide is CCC1CCCCC1[B-](F)(F)F.
What is the InChIKey of (2-ethylcyclohexyl)-trifluoroboranuide?
The InChIKey is ZLDZBOZDDCLLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BF3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h7-8H,2-6H2,1H3/q-1.
What are the key properties of (2-ethylcyclohexyl)-trifluoroboranuide?
(2-ethylcyclohexyl)-trifluoroboranuide has a molecular weight of 179.01 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-trifluoroboranuide is sourced from PubChem (CID 63861701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).