(1S)-1-chloro-1-fluoroethane

C2H4ClF — CID 71403499

IUPAC(1S)-1-chloro-1-fluoroethane
SMILESC[C@@H](F)Cl
InChIInChI=1S/C2H4ClF/c1-2(3)4/h2H,1H3/t2-/m1/s1
InChIKeyYACLCMMBHTUQON-UWTATZPHSA-N
MW82.50 g/mol
LogP1.54
Rot. Bonds

About (1S)-1-chloro-1-fluoroethane

(1S)-1-chloro-1-fluoroethane (PubChem CID 71403499) has the molecular formula C2H4ClF and a molecular weight of 82.50 g/mol. Its IUPAC name is (1S)-1-chloro-1-fluoroethane.

Molecular Properties

Compound Name(1S)-1-chloro-1-fluoroethane
PubChem CID71403499
Molecular FormulaC2H4ClF
Molecular Weight82.50 g/mol
Exact Mass82.00
IUPAC Name(1S)-1-chloro-1-fluoroethane
SMILESC[C@@H](F)Cl
InChIInChI=1S/C2H4ClF/c1-2(3)4/h2H,1H3/t2-/m1/s1
InChIKeyYACLCMMBHTUQON-UWTATZPHSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.50
LogP ≤ 51.54
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 (1S)-1-chloro-1-fluoroethane?
The IUPAC name of (1S)-1-chloro-1-fluoroethane (CID 71403499) is (1S)-1-chloro-1-fluoroethane.
What is the SMILES notation for (1S)-1-chloro-1-fluoroethane?
The canonical SMILES for (1S)-1-chloro-1-fluoroethane is C[C@@H](F)Cl.
What is the InChIKey of (1S)-1-chloro-1-fluoroethane?
The InChIKey is YACLCMMBHTUQON-UWTATZPHSA-N. The full InChI is InChI=1S/C2H4ClF/c1-2(3)4/h2H,1H3/t2-/m1/s1.
What are the key properties of (1S)-1-chloro-1-fluoroethane?
(1S)-1-chloro-1-fluoroethane has a molecular weight of 82.50 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloro-1-fluoroethane is sourced from PubChem (CID 71403499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).