(3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone

C16H12ClFO3 — CID 24726737

IUPAC(3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H12ClFO3/c17-13-7-12(8-14(18)9-13)15(19)10-1-3-11(4-2-10)16-20-5-6-21-16/h1-4,7-9,16H,5-6H2
InChIKeyNNYWADDUSFATPQ-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.76
Rot. Bonds3

About (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone

(3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 24726737) has the molecular formula C16H12ClFO3 and a molecular weight of 306.72 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID24726737
Molecular FormulaC16H12ClFO3
Molecular Weight306.72 g/mol
Exact Mass306.05
IUPAC Name(3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C16H12ClFO3/c17-13-7-12(8-14(18)9-13)15(19)10-1-3-11(4-2-10)16-20-5-6-21-16/h1-4,7-9,16H,5-6H2
InChIKeyNNYWADDUSFATPQ-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone (CID 24726737) is (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(C2OCCO2)cc1)c1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is NNYWADDUSFATPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO3/c17-13-7-12(8-14(18)9-13)15(19)10-1-3-11(4-2-10)16-20-5-6-21-16/h1-4,7-9,16H,5-6H2.
What are the key properties of (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
(3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone has a molecular weight of 306.72 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 24726737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).