(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane

C6H10ClFO — CID 97289325

IUPAC(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane
SMILESCCO[C@H]1[C@H](C)[C@@]1(F)Cl
InChIInChI=1S/C6H10ClFO/c1-3-9-5-4(2)6(5,7)8/h4-5H,3H2,1-2H3/t4-,5-,6-/m0/s1
InChIKeyZAHAAXYHGODCLO-ZLUOBGJFSA-N
MW152.60 g/mol
LogP1.95
Rot. Bonds2

About (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane

(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane (PubChem CID 97289325) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane.

Molecular Properties

Compound Name(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane
PubChem CID97289325
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane
SMILESCCO[C@H]1[C@H](C)[C@@]1(F)Cl
InChIInChI=1S/C6H10ClFO/c1-3-9-5-4(2)6(5,7)8/h4-5H,3H2,1-2H3/t4-,5-,6-/m0/s1
InChIKeyZAHAAXYHGODCLO-ZLUOBGJFSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane?
The IUPAC name of (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane (CID 97289325) is (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane.
What is the SMILES notation for (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane?
The canonical SMILES for (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane is CCO[C@H]1[C@H](C)[C@@]1(F)Cl.
What is the InChIKey of (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane?
The InChIKey is ZAHAAXYHGODCLO-ZLUOBGJFSA-N. The full InChI is InChI=1S/C6H10ClFO/c1-3-9-5-4(2)6(5,7)8/h4-5H,3H2,1-2H3/t4-,5-,6-/m0/s1.
What are the key properties of (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane?
(1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane has a molecular weight of 152.60 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-1-chloro-2-ethoxy-1-fluoro-3-methylcyclopropane is sourced from PubChem (CID 97289325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).