2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane

C4H3ClF6O — CID 2777088

IUPAC2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
SMILESFC(Cl)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C4H3ClF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChIKeySNVWPWRMMAPUJZ-UHFFFAOYSA-N
MW216.51 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane

2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane (PubChem CID 2777088) has the molecular formula C4H3ClF6O and a molecular weight of 216.51 g/mol. Its IUPAC name is 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane.

Molecular Properties

Compound Name2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
PubChem CID2777088
Molecular FormulaC4H3ClF6O
Molecular Weight216.51 g/mol
Exact Mass215.98
IUPAC Name2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
SMILESFC(Cl)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C4H3ClF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChIKeySNVWPWRMMAPUJZ-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.51
LogP ≤ 52.69
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
2-Chloro-1,1,2-trifluoroethyl ethyl ether
CID 136152
(R)-Enflurane
CID 11052326
(2S)-2-chloro-1-ethoxy-1,1,2-trifluoroethane
CID 7004811
4-(2-Chloroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 71651364
1-Chloro-2,2,2-trifluoroethyl ether
CID 21512356
2-Chloroethyl 2,2,2-trifluoroethyl ether
CID 18464844
1,1,2-Trifluoro-2-chloroethyl ether
CID 56997339
Trifluoro-2-chloroethyl ether
CID 129724135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
The IUPAC name of 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane (CID 2777088) is 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane.
What is the SMILES notation for 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
The canonical SMILES for 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane is FC(Cl)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
The InChIKey is SNVWPWRMMAPUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF6O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2.
What are the key properties of 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane?
2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane has a molecular weight of 216.51 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane is sourced from PubChem (CID 2777088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).