2-ethyloxolane;trifluoroborane

C6H12BF3O — CID 175114476

IUPAC2-ethyloxolane;trifluoroborane
SMILESCCC1CCCO1.FB(F)F
InChIInChI=1S/C6H12O.BF3/c1-2-6-4-3-5-7-6;2-1(3)4/h6H,2-5H2,1H3;
InChIKeyQVHCXWGDIIHDOS-UHFFFAOYSA-N
MW167.97 g/mol
LogP2.46
Rot. Bonds1

About 2-ethyloxolane;trifluoroborane

2-ethyloxolane;trifluoroborane (PubChem CID 175114476) has the molecular formula C6H12BF3O and a molecular weight of 167.97 g/mol. Its IUPAC name is 2-ethyloxolane;trifluoroborane.

Molecular Properties

Compound Name2-ethyloxolane;trifluoroborane
PubChem CID175114476
Molecular FormulaC6H12BF3O
Molecular Weight167.97 g/mol
Exact Mass168.09
IUPAC Name2-ethyloxolane;trifluoroborane
SMILESCCC1CCCO1.FB(F)F
InChIInChI=1S/C6H12O.BF3/c1-2-6-4-3-5-7-6;2-1(3)4/h6H,2-5H2,1H3;
InChIKeyQVHCXWGDIIHDOS-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.97
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethyloxolane
CID 641529
azane;2-ethyloxolane
CID 174465001
CID 19937072
CID 19937072
5-ethyl-2-methyl-1,4-dioxocane
CID 161066781
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2-ethyl-5,5-dimethyloxane;2-ethyloxane
CID 165124837
(2S)-2-(tert-butylsulfonylmethyl)oxolane
CID 165172638
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
[(2R)-oxolan-2-yl]methanamine
CID 2734124
2-tetradecyloxolane
CID 10683364
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523

Frequently Asked Questions

What is the IUPAC name of 2-ethyloxolane;trifluoroborane?
The IUPAC name of 2-ethyloxolane;trifluoroborane (CID 175114476) is 2-ethyloxolane;trifluoroborane.
What is the SMILES notation for 2-ethyloxolane;trifluoroborane?
The canonical SMILES for 2-ethyloxolane;trifluoroborane is CCC1CCCO1.FB(F)F.
What is the InChIKey of 2-ethyloxolane;trifluoroborane?
The InChIKey is QVHCXWGDIIHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.BF3/c1-2-6-4-3-5-7-6;2-1(3)4/h6H,2-5H2,1H3;.
What are the key properties of 2-ethyloxolane;trifluoroborane?
2-ethyloxolane;trifluoroborane has a molecular weight of 167.97 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxolane;trifluoroborane is sourced from PubChem (CID 175114476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).