(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one

C6H7F3O2 — CID 131863830

IUPAC(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
SMILESC[C@@H]1C[C@H](C(F)(F)F)OC1=O
InChIInChI=1S/C6H7F3O2/c1-3-2-4(6(7,8)9)11-5(3)10/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKeyXNJFBMUCSCPCPT-QWWZWVQMSA-N
MW168.11 g/mol
LogP1.50
Rot. Bonds

About (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one

(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 131863830) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID131863830
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
SMILESC[C@@H]1C[C@H](C(F)(F)F)OC1=O
InChIInChI=1S/C6H7F3O2/c1-3-2-4(6(7,8)9)11-5(3)10/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKeyXNJFBMUCSCPCPT-QWWZWVQMSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5S)-3,5-dimethyloxolan-2-one
CID 5324164
(3S,5R)-3-methyl-5-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]oxolan-2-one
CID 11138067
5-hydroxy-3-methyloxolan-2-one
CID 12794198
(3S,5S)-5-methyl-3-(trifluoromethyl)oxolan-2-one
CID 7159230
4-(trifluoromethyl)oxetan-2-one
CID 54520542
5-cyclopropyl-3-methyloxolan-2-one
CID 154096657
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 11095248
5-(hydroxymethyl)-3-methyloxolan-2-one
CID 13462626
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381
(4-methyl-5-oxooxolan-2-yl)methyl formate
CID 162736854
(3R,5R,6S)-6-(chloromethyl)-3,5-dimethyloxan-2-one
CID 142897211
(3R,4S,6S)-6-tert-butyl-4-hydroxy-3-methyloxan-2-one
CID 14780946

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one (CID 131863830) is (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one is C[C@@H]1C[C@H](C(F)(F)F)OC1=O.
What is the InChIKey of (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is XNJFBMUCSCPCPT-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H7F3O2/c1-3-2-4(6(7,8)9)11-5(3)10/h3-4H,2H2,1H3/t3-,4-/m1/s1.
What are the key properties of (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one?
(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 168.11 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 131863830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).