5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole

C11H10F2O2 — CID 116841652

IUPAC5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
SMILESFC(F)(c1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C11H10F2O2/c12-11(13,7-1-2-7)8-3-4-9-10(5-8)15-6-14-9/h3-5,7H,1-2,6H2
InChIKeyKFSOJXCDLQQDKY-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.92
Rot. Bonds2

About 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole

5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole (PubChem CID 116841652) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
PubChem CID116841652
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole
SMILESFC(F)(c1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C11H10F2O2/c12-11(13,7-1-2-7)8-3-4-9-10(5-8)15-6-14-9/h3-5,7H,1-2,6H2
InChIKeyKFSOJXCDLQQDKY-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1,3-benzodioxol-5-yl)-1-cyclopropylethanol
CID 97294109
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
2-(1,3-benzodioxol-5-yl)-2-cyclopropylpropan-1-amine
CID 83837134
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine
CID 116840363
2-(1,3-benzodioxol-5-yl)-1-bromo-1,1-difluoropropan-2-ol
CID 107140483
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
2-[2,3-dihydro-1,4-benzodioxin-6-yl(difluoro)methyl]pyrrolidine
CID 116838943
3-(1,3-benzodioxol-5-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839632
N-[4-(trifluoromethyl)phenyl]-1,3-benzodioxol-5-amine
CID 171115396
(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
CID 30116351
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole?
The IUPAC name of 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole (CID 116841652) is 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole?
The canonical SMILES for 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole is FC(F)(c1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole?
The InChIKey is KFSOJXCDLQQDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-11(13,7-1-2-7)8-3-4-9-10(5-8)15-6-14-9/h3-5,7H,1-2,6H2.
What are the key properties of 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole?
5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole has a molecular weight of 212.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(difluoro)methyl]-1,3-benzodioxole is sourced from PubChem (CID 116841652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).