trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane

C9H12ClF3 — CID 88773684

IUPACtrans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane
SMILESC[C@@H]1[C@@H](C=C(Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C9H12ClF3/c1-5-6(8(5,2)3)4-7(10)9(11,12)13/h4-6H,1-3H3/t5-,6-/m1/s1
InChIKeyVWMDWTCPZVJTAW-PHDIDXHHSA-N
MW212.64 g/mol
LogP3.96
Rot. Bonds1

About trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane

trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane (PubChem CID 88773684) has the molecular formula C9H12ClF3 and a molecular weight of 212.64 g/mol. Its IUPAC name is trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane.

Molecular Properties

Compound Nametrans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane
PubChem CID88773684
Molecular FormulaC9H12ClF3
Molecular Weight212.64 g/mol
Exact Mass212.06
IUPAC Nametrans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane
SMILESC[C@@H]1[C@@H](C=C(Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C9H12ClF3/c1-5-6(8(5,2)3)4-7(10)9(11,12)13/h4-6H,1-3H3/t5-,6-/m1/s1
InChIKeyVWMDWTCPZVJTAW-PHDIDXHHSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 53.96
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-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane?
The IUPAC name of trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane (CID 88773684) is trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane.
What is the SMILES notation for trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane?
The canonical SMILES for trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane is C[C@@H]1[C@@H](C=C(Cl)C(F)(F)F)C1(C)C.
What is the InChIKey of trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane?
The InChIKey is VWMDWTCPZVJTAW-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H12ClF3/c1-5-6(8(5,2)3)4-7(10)9(11,12)13/h4-6H,1-3H3/t5-,6-/m1/s1.
What are the key properties of trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane?
trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane has a molecular weight of 212.64 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3R)-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,1,3-trimethylcyclopropane is sourced from PubChem (CID 88773684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).