(5R)-5-methyl-2-(trifluoromethyl)oxane

C7H11F3O — CID 155244319

IUPAC(5R)-5-methyl-2-(trifluoromethyl)oxane
SMILESC[C@@H]1CCC(C(F)(F)F)OC1
InChIInChI=1S/C7H11F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h5-6H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyYOIACBPFJCZSMT-LWOQYNTDSA-N
MW168.16 g/mol
LogP2.36
Rot. Bonds

About (5R)-5-methyl-2-(trifluoromethyl)oxane

(5R)-5-methyl-2-(trifluoromethyl)oxane (PubChem CID 155244319) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is (5R)-5-methyl-2-(trifluoromethyl)oxane.

Molecular Properties

Compound Name(5R)-5-methyl-2-(trifluoromethyl)oxane
PubChem CID155244319
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name(5R)-5-methyl-2-(trifluoromethyl)oxane
SMILESC[C@@H]1CCC(C(F)(F)F)OC1
InChIInChI=1S/C7H11F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h5-6H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyYOIACBPFJCZSMT-LWOQYNTDSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-(trifluoromethyl)oxane?
The IUPAC name of (5R)-5-methyl-2-(trifluoromethyl)oxane (CID 155244319) is (5R)-5-methyl-2-(trifluoromethyl)oxane.
What is the SMILES notation for (5R)-5-methyl-2-(trifluoromethyl)oxane?
The canonical SMILES for (5R)-5-methyl-2-(trifluoromethyl)oxane is C[C@@H]1CCC(C(F)(F)F)OC1.
What is the InChIKey of (5R)-5-methyl-2-(trifluoromethyl)oxane?
The InChIKey is YOIACBPFJCZSMT-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h5-6H,2-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of (5R)-5-methyl-2-(trifluoromethyl)oxane?
(5R)-5-methyl-2-(trifluoromethyl)oxane has a molecular weight of 168.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-(trifluoromethyl)oxane is sourced from PubChem (CID 155244319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).