2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane

C3HCl2F5O — CID 3478954

IUPAC2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(Cl)OC(Cl)C(F)(F)F
InChIInChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H
InChIKeyTZZWXBLENLGFDD-UHFFFAOYSA-N
MW218.94 g/mol
LogP2.92
Rot. Bonds2

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

2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane (PubChem CID 3478954) has the molecular formula C3HCl2F5O and a molecular weight of 218.94 g/mol. Its IUPAC name is 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
PubChem CID3478954
Molecular FormulaC3HCl2F5O
Molecular Weight218.94 g/mol
Exact Mass217.93
IUPAC Name2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(Cl)OC(Cl)C(F)(F)F
InChIInChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H
InChIKeyTZZWXBLENLGFDD-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.94
LogP ≤ 52.92
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

Isoflurane
CID 3763
Enflurane
CID 3226
(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
CID 4369440
Isoflurane, (R)-
CID 11095291
Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-
CID 13294154
(R)-Enflurane
CID 11052326
1-Chloro-2,2,2-trifluoroethyl ether
CID 21512356
2-Chloro-1-(chloromethoxy)-1,1,2-trifluoroethane
CID 101670
2,2-Dichloro-1,1-difluoroethyl difluoromethyl ether
CID 152803
2-(Chlorofluoromethoxy)-1,1,1,2-tetrafluoroethane
CID 185860
2-(Dichloromethoxy)-1,1,1,2-tetrafluoroethane
CID 19765303
2-Chloro-1,1,1-trifluoro-2-(trifluoromethoxy)ethane
CID 13294155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane (CID 3478954) is 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane is FC(F)(Cl)OC(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
The InChIKey is TZZWXBLENLGFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl2F5O/c4-1(2(6,7)8)11-3(5,9)10/h1H.
What are the key properties of 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane?
2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane has a molecular weight of 218.94 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[chloro(difluoro)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 3478954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).