4-(trifluoromethyl)-1,3-dioxole

C4H3F3O2 — CID 70018450

IUPAC4-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)C1=COCO1
InChIInChI=1S/C4H3F3O2/c5-4(6,7)3-1-8-2-9-3/h1H,2H2
InChIKeyGQRWLRWGZZQENL-UHFFFAOYSA-N
MW140.06 g/mol
LogP1.39
Rot. Bonds

About 4-(trifluoromethyl)-1,3-dioxole

4-(trifluoromethyl)-1,3-dioxole (PubChem CID 70018450) has the molecular formula C4H3F3O2 and a molecular weight of 140.06 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dioxole
PubChem CID70018450
Molecular FormulaC4H3F3O2
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Name4-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)C1=COCO1
InChIInChI=1S/C4H3F3O2/c5-4(6,7)3-1-8-2-9-3/h1H,2H2
InChIKeyGQRWLRWGZZQENL-UHFFFAOYSA-N
XLogP1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole
CID 19741878
4-(Trifluoromethyl)-2H-1,3-dioxol-2-one
CID 21102674
2,4-Bis(trifluoromethyl)-1,3-dioxole
CID 22182916
2,2-Difluoro-4-(trifluoromethyl)-1,3-dioxole
CID 54330170
2,2-Difluoro-4-methyl-1,3-dioxole
CID 54353344
2,4-Difluoro-5-(trifluoromethyl)-1,3-dioxole
CID 54397821
4-Fluoro-5-(trifluoromethyl)-1,3-dioxole
CID 132235744
4-(Difluoromethyl)-1,3-dioxol-2-one
CID 140836544
4-(Fluoromethyl)-1,3-dioxole
CID 141070308
4-(Trifluoromethoxy)-5-(trifluoromethyl)-1,3-dioxole
CID 172818547
2,2-Dimethoxy-4-(trifluoromethyl)-1,3-dioxole
CID 176900687
2-Methylidene-4-(trifluoromethyl)-1,3-dioxole
CID 162617710

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-(trifluoromethyl)-1,3-dioxole (CID 70018450) is 4-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dioxole is FC(F)(F)C1=COCO1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dioxole?
The InChIKey is GQRWLRWGZZQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3O2/c5-4(6,7)3-1-8-2-9-3/h1H,2H2.
What are the key properties of 4-(trifluoromethyl)-1,3-dioxole?
4-(trifluoromethyl)-1,3-dioxole has a molecular weight of 140.06 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 70018450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).