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

C5ClF7O2 — CID 11129068

IUPAC4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(Cl)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5ClF7O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13
InChIKeySYLBJJIKMUZFRO-UHFFFAOYSA-N
MW260.49 g/mol
LogP3.19
Rot. Bonds

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

4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole (PubChem CID 11129068) has the molecular formula C5ClF7O2 and a molecular weight of 260.49 g/mol. Its IUPAC name is 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole
PubChem CID11129068
Molecular FormulaC5ClF7O2
Molecular Weight260.49 g/mol
Exact Mass259.95
IUPAC Name4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole
SMILESFC1=C(Cl)OC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C5ClF7O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13
InChIKeySYLBJJIKMUZFRO-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole (CID 11129068) is 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole is FC1=C(Cl)OC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole?
The InChIKey is SYLBJJIKMUZFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5ClF7O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13.
What are the key properties of 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole?
4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole has a molecular weight of 260.49 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxole is sourced from PubChem (CID 11129068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).