(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane

C3H4ClF3O — CID 131850502

IUPAC(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane
SMILESFCO[C@H](F)[C@H](F)Cl
InChIInChI=1S/C3H4ClF3O/c4-2(6)3(7)8-1-5/h2-3H,1H2/t2-,3-/m0/s1
InChIKeyCKNCTSJTPOBVIX-HRFVKAFMSA-N
MW148.51 g/mol
LogP1.76
Rot. Bonds3

About (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane

(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane (PubChem CID 131850502) has the molecular formula C3H4ClF3O and a molecular weight of 148.51 g/mol. Its IUPAC name is (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane.

Molecular Properties

Compound Name(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane
PubChem CID131850502
Molecular FormulaC3H4ClF3O
Molecular Weight148.51 g/mol
Exact Mass147.99
IUPAC Name(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane
SMILESFCO[C@H](F)[C@H](F)Cl
InChIInChI=1S/C3H4ClF3O/c4-2(6)3(7)8-1-5/h2-3H,1H2/t2-,3-/m0/s1
InChIKeyCKNCTSJTPOBVIX-HRFVKAFMSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane?
The IUPAC name of (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane (CID 131850502) is (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane.
What is the SMILES notation for (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane?
The canonical SMILES for (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane is FCO[C@H](F)[C@H](F)Cl.
What is the InChIKey of (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane?
The InChIKey is CKNCTSJTPOBVIX-HRFVKAFMSA-N. The full InChI is InChI=1S/C3H4ClF3O/c4-2(6)3(7)8-1-5/h2-3H,1H2/t2-,3-/m0/s1.
What are the key properties of (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane?
(1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane has a molecular weight of 148.51 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-chloro-1,2-difluoro-2-(fluoromethoxy)ethane is sourced from PubChem (CID 131850502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).