2-(2,2-difluoroethyl)-1,3-benzodioxole

C9H8F2O2 — CID 84660391

IUPAC2-(2,2-difluoroethyl)-1,3-benzodioxole
SMILESFC(F)CC1Oc2ccccc2O1
InChIInChI=1S/C9H8F2O2/c10-8(11)5-9-12-6-3-1-2-4-7(6)13-9/h1-4,8-9H,5H2
InChIKeyLTSNJFQFZYECGP-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.44
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1,3-benzodioxole

2-(2,2-difluoroethyl)-1,3-benzodioxole (PubChem CID 84660391) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1,3-benzodioxole.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1,3-benzodioxole
PubChem CID84660391
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(2,2-difluoroethyl)-1,3-benzodioxole
SMILESFC(F)CC1Oc2ccccc2O1
InChIInChI=1S/C9H8F2O2/c10-8(11)5-9-12-6-3-1-2-4-7(6)13-9/h1-4,8-9H,5H2
InChIKeyLTSNJFQFZYECGP-UHFFFAOYSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propyl-1,3-benzodioxole;hydrochloride
CID 172752983
3-(1,3-benzodioxol-2-yl)-1,1,1-trifluoropropan-2-one
CID 146313281
(1aR,7aS)-1a,7a-dihydrooxireno[2,3-b][1,4]benzodioxine
CID 10534823
(2R,3R)-2,3-dihydro-1,4-benzodioxine-2,3-diol
CID 853425
N-butan-2-yl-1,3-benzodioxol-2-amine
CID 167434503
3-(1,3-benzodioxol-2-yl)-2-phenyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 122366180
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
2-tert-butyl-3-(5-fluoro-2,3,3,6,6-pentamethylheptan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 143159220
7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl formate
CID 123218550
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
N,N-dimethyl-1,3-benzodioxol-2-amine
CID 4271632
N-ethyl-1,3-benzodioxol-2-amine
CID 91350039

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1,3-benzodioxole?
The IUPAC name of 2-(2,2-difluoroethyl)-1,3-benzodioxole (CID 84660391) is 2-(2,2-difluoroethyl)-1,3-benzodioxole.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1,3-benzodioxole?
The canonical SMILES for 2-(2,2-difluoroethyl)-1,3-benzodioxole is FC(F)CC1Oc2ccccc2O1.
What is the InChIKey of 2-(2,2-difluoroethyl)-1,3-benzodioxole?
The InChIKey is LTSNJFQFZYECGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c10-8(11)5-9-12-6-3-1-2-4-7(6)13-9/h1-4,8-9H,5H2.
What are the key properties of 2-(2,2-difluoroethyl)-1,3-benzodioxole?
2-(2,2-difluoroethyl)-1,3-benzodioxole has a molecular weight of 186.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1,3-benzodioxole is sourced from PubChem (CID 84660391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).