2-methyl-4-(trifluoromethyl)oxetane

C5H7F3O — CID 162568381

IUPAC2-methyl-4-(trifluoromethyl)oxetane
SMILESCC1CC(C(F)(F)F)O1
InChIInChI=1S/C5H7F3O/c1-3-2-4(9-3)5(6,7)8/h3-4H,2H2,1H3
InChIKeyBLEKFHTWBDQPAM-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.73
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)oxetane

2-methyl-4-(trifluoromethyl)oxetane (PubChem CID 162568381) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)oxetane.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)oxetane
PubChem CID162568381
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name2-methyl-4-(trifluoromethyl)oxetane
SMILESCC1CC(C(F)(F)F)O1
InChIInChI=1S/C5H7F3O/c1-3-2-4(9-3)5(6,7)8/h3-4H,2H2,1H3
InChIKeyBLEKFHTWBDQPAM-UHFFFAOYSA-N
XLogP1.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-5-methyl-3-(trifluoromethyl)oxolan-2-yl]methanol
CID 88976400
(3R,5R)-3-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863830
(2R,5R)-3-methoxy-2-(methoxymethyl)-5-(trifluoromethyl)oxolane
CID 163887966
2-methyl-4-(4,4,5,5,5-pentafluoro-2-methylpent-2-en-3-yl)-6-(trifluoromethyl)morpholine
CID 160565386
2-(methoxymethyl)-4-(trifluoromethyl)oxetane;prop-1-ene
CID 159682421
CID 134937071
CID 134937071
methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
CID 124745641
4-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
CID 151809090
4-hydroxy-4-[4-(trifluoromethyl)oxetan-2-yl]pent-1-en-3-one
CID 70497173
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
(5R)-5-methyl-2-(trifluoromethyl)oxane
CID 155244319
2-methyl-1-[4-(trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
CID 150773079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)oxetane?
The IUPAC name of 2-methyl-4-(trifluoromethyl)oxetane (CID 162568381) is 2-methyl-4-(trifluoromethyl)oxetane.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)oxetane?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)oxetane is CC1CC(C(F)(F)F)O1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)oxetane?
The InChIKey is BLEKFHTWBDQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-3-2-4(9-3)5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)oxetane?
2-methyl-4-(trifluoromethyl)oxetane has a molecular weight of 140.10 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)oxetane is sourced from PubChem (CID 162568381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).