(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane

C3H4ClF3O — CID 6999966

IUPAC(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane
SMILESCOC(F)(F)[C@@H](F)Cl
InChIInChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1
InChIKeyKKXBMWAROXAWSZ-UWTATZPHSA-N
MW148.51 g/mol
LogP1.76
Rot. Bonds2

About (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane

(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane (PubChem CID 6999966) has the molecular formula C3H4ClF3O and a molecular weight of 148.51 g/mol. Its IUPAC name is (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane.

Molecular Properties

Compound Name(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane
PubChem CID6999966
Molecular FormulaC3H4ClF3O
Molecular Weight148.51 g/mol
Exact Mass147.99
IUPAC Name(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane
SMILESCOC(F)(F)[C@@H](F)Cl
InChIInChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1
InChIKeyKKXBMWAROXAWSZ-UWTATZPHSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.51
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane with MolForge

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

Launch Full Analysis

Related Compounds

Enflurane
CID 3226
Methoxyflurane
CID 4116
2-Chloro-1,1,2-trifluoroethyl methyl ether
CID 9877
2-Chloro-1,1,2-trifluoroethyl ethyl ether
CID 136152
Ethane, 2-chloro-1,1-difluoro-1-methoxy-
CID 9884
(R)-Enflurane
CID 11052326
2-Chloro-1-(chloromethoxy)-1,1,2-trifluoroethane
CID 101670
(2S)-2-chloro-1-ethoxy-1,1,2-trifluoroethane
CID 7004811
1-Chloro-2-(trifluoromethoxy)ethane
CID 12846024
2-Chloro-1,1,1-trifluoro-2-methoxyethane
CID 21512358
2-Deuterio-2,2-dichloro-1,1-difluoroethyl methyl ether
CID 22807709
Methyl-trifluorchlorethylether
CID 129635168

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane?
The IUPAC name of (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane (CID 6999966) is (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane.
What is the SMILES notation for (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane?
The canonical SMILES for (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane is COC(F)(F)[C@@H](F)Cl.
What is the InChIKey of (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane?
The InChIKey is KKXBMWAROXAWSZ-UWTATZPHSA-N. The full InChI is InChI=1S/C3H4ClF3O/c1-8-3(6,7)2(4)5/h2H,1H3/t2-/m1/s1.
What are the key properties of (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane?
(2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane has a molecular weight of 148.51 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1,1,2-trifluoro-1-methoxyethane is sourced from PubChem (CID 6999966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).