2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane

C7H9F5O2 — CID 172557409

IUPAC2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane
SMILESCC1(COCC(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C7H9F5O2/c1-5(3-14-5)2-13-4-6(8,9)7(10,11)12/h2-4H2,1H3
InChIKeyWQWFWDBQNHNMJR-UHFFFAOYSA-N
MW220.14 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane

2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane (PubChem CID 172557409) has the molecular formula C7H9F5O2 and a molecular weight of 220.14 g/mol. Its IUPAC name is 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane
PubChem CID172557409
Molecular FormulaC7H9F5O2
Molecular Weight220.14 g/mol
Exact Mass220.05
IUPAC Name2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane
SMILESCC1(COCC(F)(F)C(F)(F)F)CO1
InChIInChI=1S/C7H9F5O2/c1-5(3-14-5)2-13-4-6(8,9)7(10,11)12/h2-4H2,1H3
InChIKeyWQWFWDBQNHNMJR-UHFFFAOYSA-N
XLogP1.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxymethyl)oxirane
CID 22715507
3-ethyl-3-[[6-[(3-ethyloxetan-3-yl)methoxy]-2,2,3,3,4,4,5,5-octafluorohexoxy]methyl]oxetane
CID 11271083
2-methyl-2-[1-[(2-methyloxiran-2-yl)methoxy]propan-2-yloxymethyl]oxirane
CID 88797700
(2-methyloxiran-2-yl)methyl 2,2,2-trifluoroacetate
CID 14324753
2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
2-methyl-2-(sulfanyloxymethyl)oxirane
CID 141439359
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
N-methyl-2-[(2-methyloxiran-2-yl)methoxy]-N-(trifluoromethylsulfonyl)acetamide
CID 167083374
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
2-(18-bromooctadecoxymethyl)-2-methyloxirane
CID 88708364
2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-2-methyloxirane
CID 66336585
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane (CID 172557409) is 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane is CC1(COCC(F)(F)C(F)(F)F)CO1.
What is the InChIKey of 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane?
The InChIKey is WQWFWDBQNHNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O2/c1-5(3-14-5)2-13-4-6(8,9)7(10,11)12/h2-4H2,1H3.
What are the key properties of 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane?
2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane has a molecular weight of 220.14 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)oxirane is sourced from PubChem (CID 172557409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).