(1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate

C12H12F2O2 — CID 139844662

IUPAC(1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate
SMILESCC(=O)OC1CCc2ccccc2C1(F)F
InChIInChI=1S/C12H12F2O2/c1-8(15)16-11-7-6-9-4-2-3-5-10(9)12(11,13)14/h2-5,11H,6-7H2,1H3
InChIKeyVCTWDZVXCFRARF-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.66
Rot. Bonds1

About (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate

(1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate (PubChem CID 139844662) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate.

Molecular Properties

Compound Name(1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate
PubChem CID139844662
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate
SMILESCC(=O)OC1CCc2ccccc2C1(F)F
InChIInChI=1S/C12H12F2O2/c1-8(15)16-11-7-6-9-4-2-3-5-10(9)12(11,13)14/h2-5,11H,6-7H2,1H3
InChIKeyVCTWDZVXCFRARF-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The IUPAC name of (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate (CID 139844662) is (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate.
What is the SMILES notation for (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The canonical SMILES for (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate is CC(=O)OC1CCc2ccccc2C1(F)F.
What is the InChIKey of (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate?
The InChIKey is VCTWDZVXCFRARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-8(15)16-11-7-6-9-4-2-3-5-10(9)12(11,13)14/h2-5,11H,6-7H2,1H3.
What are the key properties of (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate?
(1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate has a molecular weight of 226.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3,4-dihydro-2H-naphthalen-2-yl) acetate is sourced from PubChem (CID 139844662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).