2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole

C4HF5O2 — CID 54397821

IUPAC2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(F)O1
InChIInChI=1S/C4HF5O2/c5-2-1(4(7,8)9)10-3(6)11-2/h3H
InChIKeyVLGRYNAZYOBWCC-UHFFFAOYSA-N
MW176.04 g/mol
LogP1.99
Rot. Bonds

About 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole

2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole (PubChem CID 54397821) has the molecular formula C4HF5O2 and a molecular weight of 176.04 g/mol. Its IUPAC name is 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole
PubChem CID54397821
Molecular FormulaC4HF5O2
Molecular Weight176.04 g/mol
Exact Mass175.99
IUPAC Name2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(F)O1
InChIInChI=1S/C4HF5O2/c5-2-1(4(7,8)9)10-3(6)11-2/h3H
InChIKeyVLGRYNAZYOBWCC-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.04
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Igljuzmxpfbpky-uhfffaoysa-
CID 23264273
Perfluorodimethyl dioxole
CID 85607367
2,2,4-Trifluoro-5-(trifluoromethyl)-1,3-dioxole
CID 11790069
4-Fluoro-2,2,5-tris(trifluoromethyl)-1,3-dioxole
CID 14716217
4-Fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole
CID 19741878
2,2-Difluoro-4-(trifluoromethyl)-1,3-dioxole
CID 54330170
4-(Trifluoromethyl)-1,3-dioxole
CID 70018450
2,4-Difluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole
CID 87328984
2-(Difluoromethylidene)-4-fluoro-5-(trifluoromethyl)-1,3-dioxole
CID 87774711
1,1,2,3,3,3-Hexafluoroprop-1-ene;2,2,4-trifluoro-5-(trifluoromethyl)-1,3-dioxole
CID 88192496
4-Fluoro-5-(trifluoromethyl)-1,3-dioxole
CID 132235744
2-(Difluoromethylidene)-4,5-bis(trifluoromethyl)-1,3-dioxole
CID 141177948

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole (CID 54397821) is 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole is FC1=C(C(F)(F)F)OC(F)O1.
What is the InChIKey of 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole?
The InChIKey is VLGRYNAZYOBWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF5O2/c5-2-1(4(7,8)9)10-3(6)11-2/h3H.
What are the key properties of 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole?
2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole has a molecular weight of 176.04 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 54397821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).