5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene

C12H14F2 — CID 22975342

IUPAC5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2/c1-7(2)9-4-3-8-5-11(13)12(14)6-10(8)9/h5-7,9H,3-4H2,1-2H3
InChIKeyVNGZBHKQTXJJDH-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.65
Rot. Bonds1

About 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene

5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene (PubChem CID 22975342) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
PubChem CID22975342
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene
SMILESCC(C)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2/c1-7(2)9-4-3-8-5-11(13)12(14)6-10(8)9/h5-7,9H,3-4H2,1-2H3
InChIKeyVNGZBHKQTXJJDH-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene?
The IUPAC name of 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene (CID 22975342) is 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene?
The canonical SMILES for 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene is CC(C)C1CCc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene?
The InChIKey is VNGZBHKQTXJJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-7(2)9-4-3-8-5-11(13)12(14)6-10(8)9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene?
5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene has a molecular weight of 196.24 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1-propan-2-yl-2,3-dihydro-1H-indene is sourced from PubChem (CID 22975342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).