2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane

C12H14F2O2 — CID 83958425

IUPAC2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(F)ccc2F)OCCO1
InChIInChI=1S/C12H14F2O2/c1-2-5-12(15-6-7-16-12)10-8-9(13)3-4-11(10)14/h3-4,8H,2,5-7H2,1H3
InChIKeyUCGBQUBPCSDCHX-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.96
Rot. Bonds3

About 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane

2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane (PubChem CID 83958425) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane
PubChem CID83958425
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane
SMILESCCCC1(c2cc(F)ccc2F)OCCO1
InChIInChI=1S/C12H14F2O2/c1-2-5-12(15-6-7-16-12)10-8-9(13)3-4-11(10)14/h3-4,8H,2,5-7H2,1H3
InChIKeyUCGBQUBPCSDCHX-UHFFFAOYSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
2-(2,5-dichlorophenyl)-2-propyl-1,3-dioxolane
CID 83957869
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(5-tert-butyl-2-methylphenyl)-2-propyl-1,3-dioxolane
CID 83958342
2-(5-tert-butyl-2-ethylphenyl)-2-propyl-1,3-dioxolane
CID 83957578
2-ethyl-2-(2-fluoro-4,5-dimethoxyphenyl)-1,3-dioxolane
CID 83949927
[2-(5-bromo-2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82973726
6-chloro-7-(2-propyl-1,3-dioxolan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 83949882
2-(2-bromo-4,5-dimethoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959407
3-[(2,5-difluorophenyl)methyl]-3-propylazetidine
CID 79451845
2-(2-ethoxy-5-fluorophenyl)-2-methyl-1,3-dioxolane
CID 83959424
2-(4-ethoxy-2,3-dimethylphenyl)-2-propyl-1,3-dioxolane
CID 83958921

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane (CID 83958425) is 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane is CCCC1(c2cc(F)ccc2F)OCCO1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane?
The InChIKey is UCGBQUBPCSDCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-2-5-12(15-6-7-16-12)10-8-9(13)3-4-11(10)14/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane?
2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane has a molecular weight of 228.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 83958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).