2,2,2-trichloro-1-fluoroethanol

C2H2Cl3FO — CID 57102387

IUPAC2,2,2-trichloro-1-fluoroethanol
SMILESOC(F)C(Cl)(Cl)Cl
InChIInChI=1S/C2H2Cl3FO/c3-2(4,5)1(6)7/h1,7H
InChIKeyPVDYBQDWTLZJJS-UHFFFAOYSA-N
MW167.39 g/mol
LogP1.64
Rot. Bonds

About 2,2,2-trichloro-1-fluoroethanol

2,2,2-trichloro-1-fluoroethanol (PubChem CID 57102387) has the molecular formula C2H2Cl3FO and a molecular weight of 167.39 g/mol. Its IUPAC name is 2,2,2-trichloro-1-fluoroethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-fluoroethanol
PubChem CID57102387
Molecular FormulaC2H2Cl3FO
Molecular Weight167.39 g/mol
Exact Mass165.92
IUPAC Name2,2,2-trichloro-1-fluoroethanol
SMILESOC(F)C(Cl)(Cl)Cl
InChIInChI=1S/C2H2Cl3FO/c3-2(4,5)1(6)7/h1,7H
InChIKeyPVDYBQDWTLZJJS-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 2,2,2-trichloro-1-fluoroethanol?
The IUPAC name of 2,2,2-trichloro-1-fluoroethanol (CID 57102387) is 2,2,2-trichloro-1-fluoroethanol.
What is the SMILES notation for 2,2,2-trichloro-1-fluoroethanol?
The canonical SMILES for 2,2,2-trichloro-1-fluoroethanol is OC(F)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-fluoroethanol?
The InChIKey is PVDYBQDWTLZJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl3FO/c3-2(4,5)1(6)7/h1,7H.
What are the key properties of 2,2,2-trichloro-1-fluoroethanol?
2,2,2-trichloro-1-fluoroethanol has a molecular weight of 167.39 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-fluoroethanol is sourced from PubChem (CID 57102387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).