(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate

C6H7F3O3 — CID 14324753

IUPAC(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate
SMILESCC1(COC(=O)C(F)(F)F)CO1
InChIInChI=1S/C6H7F3O3/c1-5(3-12-5)2-11-4(10)6(7,8)9/h2-3H2,1H3
InChIKeyOWUIWHIYERKXBY-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.88
Rot. Bonds2

About (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate

(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate (PubChem CID 14324753) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate
PubChem CID14324753
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate
SMILESCC1(COC(=O)C(F)(F)F)CO1
InChIInChI=1S/C6H7F3O3/c1-5(3-12-5)2-11-4(10)6(7,8)9/h2-3H2,1H3
InChIKeyOWUIWHIYERKXBY-UHFFFAOYSA-N
XLogP0.88
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-methyloxiran-2-yl)methyl acetate
CID 10103200
(2-methyloxetan-2-yl)methyl 2,2-difluoropropanoate
CID 58391835
[(2S)-2-methyloxiran-2-yl]methyl propanoate
CID 100919091
(2-methyloxiran-2-yl)methyl but-2-enoate
CID 85377354
[(2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl] 2,2,2-trifluoroacetate
CID 140682188
[4-amino-2-methyl-5-[(2R)-2-methyloxiran-2-yl]-5-oxopentyl] 2,2,2-trifluoroacetate
CID 134231758
[2-amino-4-methyl-5-[(2R)-2-methyloxiran-2-yl]-5-oxopentyl] 2,2,2-trifluoroacetate
CID 134231746
N-methyl-2-[(2-methyloxiran-2-yl)methoxy]-N-(trifluoromethylsulfonyl)acetamide
CID 167083374
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane
CID 172557409
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483

Frequently Asked Questions

What is the IUPAC name of (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate?
The IUPAC name of (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate (CID 14324753) is (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate is CC1(COC(=O)C(F)(F)F)CO1.
What is the InChIKey of (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate?
The InChIKey is OWUIWHIYERKXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3/c1-5(3-12-5)2-11-4(10)6(7,8)9/h2-3H2,1H3.
What are the key properties of (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate?
(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate has a molecular weight of 184.11 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 14324753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).