2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane

C11H12F2O2 — CID 85090271

IUPAC2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(C(F)F)cc2)OCCO1
InChIInChI=1S/C11H12F2O2/c1-11(14-6-7-15-11)9-4-2-8(3-5-9)10(12)13/h2-5,10H,6-7H2,1H3
InChIKeyICMUYEVEWIDZFZ-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.84
Rot. Bonds2

About 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane

2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane (PubChem CID 85090271) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane
PubChem CID85090271
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane
SMILESCC1(c2ccc(C(F)F)cc2)OCCO1
InChIInChI=1S/C11H12F2O2/c1-11(14-6-7-15-11)9-4-2-8(3-5-9)10(12)13/h2-5,10H,6-7H2,1H3
InChIKeyICMUYEVEWIDZFZ-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Phenyl-1,3-dioxolane
CID 70293
Sdz 51641
CID 146329
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
4-Phenyl-1,3-dioxolane
CID 70634
1,4-Dioxaspiro[4.5]decane, 2-phenyl-
CID 97830
1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
CID 221639
4-Phenyl-1,3-dioxolan-2-one
CID 234226
3-[4-[3-(Trifluoromethyl)phenyl]phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206181
p-(Diethoxymethyl)toluene
CID 75469

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane (CID 85090271) is 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane is CC1(c2ccc(C(F)F)cc2)OCCO1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
The InChIKey is ICMUYEVEWIDZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-11(14-6-7-15-11)9-4-2-8(3-5-9)10(12)13/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane?
2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane has a molecular weight of 214.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 85090271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).