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

C6H11F — CID 134934913

IUPACtrans-(2R,3S)-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-/m1/s1
InChIKeyVLCOBBGBCNOXMS-RFZPGFLSSA-N
MW102.15 g/mol
LogP2.00
Rot. Bonds

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

trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane (PubChem CID 134934913) has the molecular formula C6H11F and a molecular weight of 102.15 g/mol. Its IUPAC name is trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Nametrans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
PubChem CID134934913
Molecular FormulaC6H11F
Molecular Weight102.15 g/mol
Exact Mass102.08
IUPAC Nametrans-(2R,3S)-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-/m1/s1
InChIKeyVLCOBBGBCNOXMS-RFZPGFLSSA-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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Related Compounds

1,1,2,2-Tetramethylcyclopropane
CID 77778
1,1,2-Trimethylcyclopropane
CID 138125
1,1,2,3-Tetramethylcyclopropane
CID 544034
1,1-Difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
Tert-butylcyclopropane
CID 524623
1-Methyl-1-(1-methylethyl)-cyclopropane
CID 524643
3-Fluoro-1,1,2,2-tetramethylcyclopropane
CID 24977285
2-(Difluoromethyl)-1,1-dimethylcyclopropane
CID 132092316
1,1-Difluoro-2,2,3-trimethyl-cyclopropane
CID 569328
trans-(2S,3R)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134933578
cis-(2R,3R)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134996639
(2S)-1,1,2-trimethylcyclopropane
CID 25022262

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane?
The IUPAC name of trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane (CID 134934913) is trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane.
What is the SMILES notation for trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane?
The canonical SMILES for trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane is C[C@@H]1[C@@H](F)C1(C)C.
What is the InChIKey of trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane?
The InChIKey is VLCOBBGBCNOXMS-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11F/c1-4-5(7)6(4,2)3/h4-5H,1-3H3/t4-,5-/m1/s1.
What are the key properties of trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane?
trans-(2R,3S)-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-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 134934913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).