2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane

C10H9Cl2FO2 — CID 82776123

IUPAC2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
SMILESFc1cc(C2OCC(CCl)O2)ccc1Cl
InChIInChI=1S/C10H9Cl2FO2/c11-4-7-5-14-10(15-7)6-1-2-8(12)9(13)3-6/h1-3,7,10H,4-5H2
InChIKeyZCGFAJVFBRQGQD-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane

2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane (PubChem CID 82776123) has the molecular formula C10H9Cl2FO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
PubChem CID82776123
Molecular FormulaC10H9Cl2FO2
Molecular Weight251.08 g/mol
Exact Mass250.00
IUPAC Name2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
SMILESFc1cc(C2OCC(CCl)O2)ccc1Cl
InChIInChI=1S/C10H9Cl2FO2/c11-4-7-5-14-10(15-7)6-1-2-8(12)9(13)3-6/h1-3,7,10H,4-5H2
InChIKeyZCGFAJVFBRQGQD-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
2-Chlorobenzaldehyde ethylene ketal
CID 4054551
2-(Dichloromethyl)-2-phenyl-1,3-dioxolane
CID 12529871
4-(Chloromethyl)-2-phenyl-1,3-dioxolane
CID 37407
1-Chloro-4-(diethoxymethyl)benzene
CID 326160
1,3-Dioxolane-4-methanol, 2-(p-chlorophenyl)-
CID 52848
1,3-Dioxolane, 2-(p-chlorophenyl)-2,4-dimethyl-
CID 43113
2,2-Bis(4-chlorophenyl)-1,3-dioxolane
CID 11370069
4-(Chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane
CID 237901
2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane
CID 2723778
2-(2,4-Dichlorophenyl)-1,3-dioxolane
CID 228659
2-(4-Chlorophenyl)-2-methyl-1,3-dioxolane
CID 603033

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane (CID 82776123) is 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane is Fc1cc(C2OCC(CCl)O2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
The InChIKey is ZCGFAJVFBRQGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FO2/c11-4-7-5-14-10(15-7)6-1-2-8(12)9(13)3-6/h1-3,7,10H,4-5H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane?
2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane has a molecular weight of 251.08 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane is sourced from PubChem (CID 82776123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).