cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane

C5H8F2 — CID 12673208

IUPACcis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane
SMILESC[C@@H]1[C@H](C)C1(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(3,6)7/h3-4H,1-2H3/t3-,4+
InChIKeyQACKABMXGDZLJE-ZXZARUISSA-N
MW106.11 g/mol
LogP1.91
Rot. Bonds

About cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane

cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane (PubChem CID 12673208) has the molecular formula C5H8F2 and a molecular weight of 106.11 g/mol. Its IUPAC name is cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane.

Molecular Properties

Compound Namecis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane
PubChem CID12673208
Molecular FormulaC5H8F2
Molecular Weight106.11 g/mol
Exact Mass106.06
IUPAC Namecis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane
SMILESC[C@@H]1[C@H](C)C1(F)F
InChIInChI=1S/C5H8F2/c1-3-4(2)5(3,6)7/h3-4H,1-2H3/t3-,4+
InChIKeyQACKABMXGDZLJE-ZXZARUISSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane?
The IUPAC name of cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane (CID 12673208) is cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane.
What is the SMILES notation for cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane?
The canonical SMILES for cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane is C[C@@H]1[C@H](C)C1(F)F.
What is the InChIKey of cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane?
The InChIKey is QACKABMXGDZLJE-ZXZARUISSA-N. The full InChI is InChI=1S/C5H8F2/c1-3-4(2)5(3,6)7/h3-4H,1-2H3/t3-,4+.
What are the key properties of cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane?
cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane has a molecular weight of 106.11 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-1,1-difluoro-2,3-dimethylcyclopropane is sourced from PubChem (CID 12673208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).