2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane

C3HCl3F4O — CID 10998975

IUPAC2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(Cl)(Cl)OC(Cl)C(F)(F)F
InChIInChI=1S/C3HCl3F4O/c4-1(2(7,8)9)11-3(5,6)10/h1H
InChIKeyHLTNXDSBFTWSAL-UHFFFAOYSA-N
MW235.39 g/mol
LogP3.19
Rot. Bonds2

About 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane

2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane (PubChem CID 10998975) has the molecular formula C3HCl3F4O and a molecular weight of 235.39 g/mol. Its IUPAC name is 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane
PubChem CID10998975
Molecular FormulaC3HCl3F4O
Molecular Weight235.39 g/mol
Exact Mass233.90
IUPAC Name2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(Cl)(Cl)OC(Cl)C(F)(F)F
InChIInChI=1S/C3HCl3F4O/c4-1(2(7,8)9)11-3(5,6)10/h1H
InChIKeyHLTNXDSBFTWSAL-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 53.19
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 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane (CID 10998975) is 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane is FC(Cl)(Cl)OC(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane?
The InChIKey is HLTNXDSBFTWSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3F4O/c4-1(2(7,8)9)11-3(5,6)10/h1H.
What are the key properties of 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane?
2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane has a molecular weight of 235.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[dichloro(fluoro)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 10998975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).