4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane

C8H13F3O2 — CID 58450338

IUPAC4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane
SMILESCO[C@H](C1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-12-7(8(9,10)11)6-2-4-13-5-3-6/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyWHQQTTALHORDBK-SSDOTTSWSA-N
MW198.18 g/mol
LogP1.99
Rot. Bonds2

About 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane

4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane (PubChem CID 58450338) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane.

Molecular Properties

Compound Name4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane
PubChem CID58450338
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane
SMILESCO[C@H](C1CCOCC1)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-12-7(8(9,10)11)6-2-4-13-5-3-6/h6-7H,2-5H2,1H3/t7-/m1/s1
InChIKeyWHQQTTALHORDBK-SSDOTTSWSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane?
The IUPAC name of 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane (CID 58450338) is 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane.
What is the SMILES notation for 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane?
The canonical SMILES for 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane is CO[C@H](C1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane?
The InChIKey is WHQQTTALHORDBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-12-7(8(9,10)11)6-2-4-13-5-3-6/h6-7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane?
4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane has a molecular weight of 198.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2,2-trifluoro-1-methoxyethyl]oxane is sourced from PubChem (CID 58450338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).