2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane

C7H10ClF3O — CID 131010257

IUPAC2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
SMILESFC(F)(F)CC1(CCl)CCCO1
InChIInChI=1S/C7H10ClF3O/c8-5-6(2-1-3-12-6)4-7(9,10)11/h1-5H2
InChIKeyCMTSJDXDKCORHE-UHFFFAOYSA-N
MW202.60 g/mol
LogP2.73
Rot. Bonds2

About 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane

2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane (PubChem CID 131010257) has the molecular formula C7H10ClF3O and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane.

Molecular Properties

Compound Name2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
PubChem CID131010257
Molecular FormulaC7H10ClF3O
Molecular Weight202.60 g/mol
Exact Mass202.04
IUPAC Name2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
SMILESFC(F)(F)CC1(CCl)CCCO1
InChIInChI=1S/C7H10ClF3O/c8-5-6(2-1-3-12-6)4-7(9,10)11/h1-5H2
InChIKeyCMTSJDXDKCORHE-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 71376373
CID 71376373
3-(2,2,2-trifluoroethyl)oxan-3-amine
CID 105440417
2,2-bis(2-methylpropyl)oxane
CID 57237158
1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
CID 130515486
2-chloro-2-(3,3,3-trifluoropropyl)oxane
CID 175285507
alumane;2,2-bis(2-methylpropyl)oxane
CID 173267840
3-[2-(2-cyanoethyl)oxolan-2-yl]propanenitrile
CID 13214164
[3-(2,2,2-trifluoroethyl)oxan-3-yl]methanol
CID 131057764
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane
CID 130349116
2-[2-[2-[2-(1,3-dioxan-2-yl)ethyl]oxolan-2-yl]ethyl]-1,3-dioxane
CID 67192270
N-methyl-1-(2-propyloxolan-2-yl)methanamine
CID 131230120

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
The IUPAC name of 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane (CID 131010257) is 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane.
What is the SMILES notation for 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
The canonical SMILES for 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane is FC(F)(F)CC1(CCl)CCCO1.
What is the InChIKey of 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
The InChIKey is CMTSJDXDKCORHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3O/c8-5-6(2-1-3-12-6)4-7(9,10)11/h1-5H2.
What are the key properties of 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane?
2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane has a molecular weight of 202.60 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane is sourced from PubChem (CID 131010257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).