trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane

C6H11F — CID 134933578

IUPACtrans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane
SMILESC[C@H]1[C@H](F)C1(C)C
InChIInChI=1S/C6H11F/c1-4-5(7)6(4,2)3/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyVLCOBBGBCNOXMS-WHFBIAKZSA-N
MW102.15 g/mol
LogP2.00
Rot. Bonds

About trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane

trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane (PubChem CID 134933578) has the molecular formula C6H11F and a molecular weight of 102.15 g/mol. Its IUPAC name is trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Nametrans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane
PubChem CID134933578
Molecular FormulaC6H11F
Molecular Weight102.15 g/mol
Exact Mass102.08
IUPAC Nametrans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane
SMILESC[C@H]1[C@H](F)C1(C)C
InChIInChI=1S/C6H11F/c1-4-5(7)6(4,2)3/h4-5H,1-3H3/t4-,5-/m0/s1
InChIKeyVLCOBBGBCNOXMS-WHFBIAKZSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.15
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane?
The IUPAC name of trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane (CID 134933578) is trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane.
What is the SMILES notation for trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane?
The canonical SMILES for trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane is C[C@H]1[C@H](F)C1(C)C.
What is the InChIKey of trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane?
The InChIKey is VLCOBBGBCNOXMS-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H11F/c1-4-5(7)6(4,2)3/h4-5H,1-3H3/t4-,5-/m0/s1.
What are the key properties of trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane?
trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane has a molecular weight of 102.15 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 134933578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).