4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole

C5HF7O2 — CID 19741878

IUPAC4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(C(F)(F)F)O1
InChIInChI=1S/C5HF7O2/c6-2-1(4(7,8)9)13-3(14-2)5(10,11)12/h3H
InChIKeyHRDNFHALPMUPQA-UHFFFAOYSA-N
MW226.05 g/mol
LogP2.62
Rot. Bonds

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

4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole (PubChem CID 19741878) has the molecular formula C5HF7O2 and a molecular weight of 226.05 g/mol. Its IUPAC name is 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole
PubChem CID19741878
Molecular FormulaC5HF7O2
Molecular Weight226.05 g/mol
Exact Mass225.99
IUPAC Name4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(C(F)(F)F)OC(C(F)(F)F)O1
InChIInChI=1S/C5HF7O2/c6-2-1(4(7,8)9)13-3(14-2)5(10,11)12/h3H
InChIKeyHRDNFHALPMUPQA-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole (CID 19741878) is 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole is FC1=C(C(F)(F)F)OC(C(F)(F)F)O1.
What is the InChIKey of 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole?
The InChIKey is HRDNFHALPMUPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF7O2/c6-2-1(4(7,8)9)13-3(14-2)5(10,11)12/h3H.
What are the key properties of 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole?
4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole has a molecular weight of 226.05 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,5-bis(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 19741878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).