2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane

C3H2Cl3F3O — CID 14930244

IUPAC2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)C(Cl)OC(Cl)Cl
InChIInChI=1S/C3H2Cl3F3O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyGWVBEOWDQVEGFC-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.89
Rot. Bonds2

About 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane

2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane (PubChem CID 14930244) has the molecular formula C3H2Cl3F3O and a molecular weight of 217.40 g/mol. Its IUPAC name is 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane
PubChem CID14930244
Molecular FormulaC3H2Cl3F3O
Molecular Weight217.40 g/mol
Exact Mass215.91
IUPAC Name2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane
SMILESFC(F)(F)C(Cl)OC(Cl)Cl
InChIInChI=1S/C3H2Cl3F3O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKeyGWVBEOWDQVEGFC-UHFFFAOYSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloromethoxy(difluoro)methane
CID 10997218
2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane
CID 22288049
1-(dichloromethoxy)-1,1,2,2,2-pentafluoroethane
CID 20606324
1-(dichloromethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 175756369
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
1-chloro-3-(4-chloro-3,3,4-trifluorobutan-2-yl)oxy-1,2,2-trifluorobutane
CID 88789392
1,1,1,2,2-pentafluoro-2-(1,2,2-trichloro-2-fluoroethoxy)ethane
CID 131727729
2-chloro-1,1,1,2-tetrafluoroethane;ethenoxyethene
CID 174518312
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane (CID 14930244) is 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane is FC(F)(F)C(Cl)OC(Cl)Cl.
What is the InChIKey of 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane?
The InChIKey is GWVBEOWDQVEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl3F3O/c4-1(3(7,8)9)10-2(5)6/h1-2H.
What are the key properties of 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane?
2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane has a molecular weight of 217.40 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 14930244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).