1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane

C6H7F7O — CID 91413545

IUPAC1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane
SMILESCC(F)(OC(F)(F)CF)C(F)(F)CF
InChIInChI=1S/C6H7F7O/c1-4(9,5(10,11)2-7)14-6(12,13)3-8/h2-3H2,1H3
InChIKeyHYMXCWIDUCFVFC-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.86
Rot. Bonds5

About 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane

1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane (PubChem CID 91413545) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane
PubChem CID91413545
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane
SMILESCC(F)(OC(F)(F)CF)C(F)(F)CF
InChIInChI=1S/C6H7F7O/c1-4(9,5(10,11)2-7)14-6(12,13)3-8/h2-3H2,1H3
InChIKeyHYMXCWIDUCFVFC-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
CID 131973030
fluoromethane;1,1,2-trifluoro-1-(fluoromethoxy)ethane;1,2,2-trifluoropropane
CID 91351347
ethane;1,1,1,2,2,3-hexafluoropropane
CID 143490804
1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-heptadecafluoro-7-(1,1,2-trifluoroethoxy)octane
CID 175765305
fluoroethane;fluoro(fluoromethoxy)methane;fluoromethane;1,1,2,2,3-pentafluoro-1-(1,1,2-trifluoroethoxy)propane;hexakis(sulfuryl difluoride);bis(1,1,2,2-tetrafluoro-1,2-bis(1,1,2-trifluoroethoxy)ethane);1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 161264140
1,2,2,5,5-pentafluoro-3,3,4,4,7,7-hexamethyloctane
CID 169196308
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835
1,2-difluoro-2-iodopropane
CID 175825476
1,1,1,2,2,3-hexafluoropropane;trimethoxysilane
CID 175523544
2,2,3,3,4-pentafluorobutanoyl 2,2,3,3,4-pentafluorobutaneperoxoate
CID 87611035
methoxymethane;1,1,1,2,2-pentafluoropropane;1,1,1,2-tetrafluoroethane
CID 158386104
1,1,2-trifluoroethyl 2-oxopropanoate
CID 87729928

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane?
The IUPAC name of 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane (CID 91413545) is 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane.
What is the SMILES notation for 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane?
The canonical SMILES for 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane is CC(F)(OC(F)(F)CF)C(F)(F)CF.
What is the InChIKey of 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane?
The InChIKey is HYMXCWIDUCFVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-4(9,5(10,11)2-7)14-6(12,13)3-8/h2-3H2,1H3.
What are the key properties of 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane?
1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane has a molecular weight of 228.11 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrafluoro-3-(1,1,2-trifluoroethoxy)butane is sourced from PubChem (CID 91413545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).