4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole

C5H4F4O2 — CID 59465020

IUPAC4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
SMILESCC1(C(F)(F)F)OC=C(F)O1
InChIInChI=1S/C5H4F4O2/c1-4(5(7,8)9)10-2-3(6)11-4/h2H,1H3
InChIKeyDIHRZYFUEBGQOP-UHFFFAOYSA-N
MW172.08 g/mol
LogP2.08
Rot. Bonds

About 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole

4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole (PubChem CID 59465020) has the molecular formula C5H4F4O2 and a molecular weight of 172.08 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
PubChem CID59465020
Molecular FormulaC5H4F4O2
Molecular Weight172.08 g/mol
Exact Mass172.01
IUPAC Name4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
SMILESCC1(C(F)(F)F)OC=C(F)O1
InChIInChI=1S/C5H4F4O2/c1-4(5(7,8)9)10-2-3(6)11-4/h2H,1H3
InChIKeyDIHRZYFUEBGQOP-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.08
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxole, 2,2-bis(trifluoromethyl)-
CID 9815665
1,3-Dioxole, 4-fluoro-2,2-bis(trifluoromethyl)-
CID 20271515
4-Fluoro-2,2-dimethyl-1,3-dioxole
CID 20648174
4,5-Difluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole
CID 54049610
1,1-Bis(2,2-difluoroethenoxy)-1,2,2,3,3,3-hexafluoropropane
CID 57591528
2,2-Bis(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoropropane
CID 57591547
2-Methyl-4-(trifluoromethoxy)-2-(trifluoromethyl)-1,3-dioxole
CID 58122665
2-Ethyl-4-fluoro-2-methyl-1,3-dioxole
CID 58637698
2-(2,2-Difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane
CID 58947064
2,4-Difluoro-2-(trifluoromethyl)-1,3-dioxole
CID 59210927
2,2-Difluoro-4-(trifluoromethoxy)-1,3-dioxole
CID 59815219
2-Methyl-2-(trifluoromethyl)-1,3-dioxole
CID 59946186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole (CID 59465020) is 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole is CC1(C(F)(F)F)OC=C(F)O1.
What is the InChIKey of 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
The InChIKey is DIHRZYFUEBGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4O2/c1-4(5(7,8)9)10-2-3(6)11-4/h2H,1H3.
What are the key properties of 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole?
4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole has a molecular weight of 172.08 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 59465020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).