2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane

C10H8ClF3O3 — CID 53466339

IUPAC2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane
SMILESFC(F)(F)Oc1ccc(C2OCCO2)cc1Cl
InChIInChI=1S/C10H8ClF3O3/c11-7-5-6(9-15-3-4-16-9)1-2-8(7)17-10(12,13)14/h1-2,5,9H,3-4H2
InChIKeyMOMQTTCORHOOMW-UHFFFAOYSA-N
MW268.62 g/mol
LogP3.28
Rot. Bonds2

About 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane

2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane (PubChem CID 53466339) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane
PubChem CID53466339
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane
SMILESFC(F)(F)Oc1ccc(C2OCCO2)cc1Cl
InChIInChI=1S/C10H8ClF3O3/c11-7-5-6(9-15-3-4-16-9)1-2-8(7)17-10(12,13)14/h1-2,5,9H,3-4H2
InChIKeyMOMQTTCORHOOMW-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane (CID 53466339) is 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane is FC(F)(F)Oc1ccc(C2OCCO2)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane?
The InChIKey is MOMQTTCORHOOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c11-7-5-6(9-15-3-4-16-9)1-2-8(7)17-10(12,13)14/h1-2,5,9H,3-4H2.
What are the key properties of 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane?
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane has a molecular weight of 268.62 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-dioxolane is sourced from PubChem (CID 53466339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).