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

C6H10ClF — CID 134895669

IUPACtrans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
SMILESC[C@@H]1C(C)(C)[C@@]1(F)Cl
InChIInChI=1S/C6H10ClF/c1-4-5(2,3)6(4,7)8/h4H,1-3H3/t4-,6-/m1/s1
InChIKeyXJQAIZCWBSHMNU-INEUFUBQSA-N
MW136.60 g/mol
LogP2.57
Rot. Bonds

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

trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane (PubChem CID 134895669) has the molecular formula C6H10ClF and a molecular weight of 136.60 g/mol. Its IUPAC name is trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
PubChem CID134895669
Molecular FormulaC6H10ClF
Molecular Weight136.60 g/mol
Exact Mass136.05
IUPAC Nametrans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane
SMILESC[C@@H]1C(C)(C)[C@@]1(F)Cl
InChIInChI=1S/C6H10ClF/c1-4-5(2,3)6(4,7)8/h4H,1-3H3/t4-,6-/m1/s1
InChIKeyXJQAIZCWBSHMNU-INEUFUBQSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane?
The IUPAC name of trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane (CID 134895669) is trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane.
What is the SMILES notation for trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane?
The canonical SMILES for trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane is C[C@@H]1C(C)(C)[C@@]1(F)Cl.
What is the InChIKey of trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane?
The InChIKey is XJQAIZCWBSHMNU-INEUFUBQSA-N. The full InChI is InChI=1S/C6H10ClF/c1-4-5(2,3)6(4,7)8/h4H,1-3H3/t4-,6-/m1/s1.
What are the key properties of trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane?
trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane has a molecular weight of 136.60 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-chloro-1-fluoro-2,2,3-trimethylcyclopropane is sourced from PubChem (CID 134895669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).