2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane

C10H10F12O — CID 87993084

IUPAC2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane
SMILESCCC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(CC)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3-5(11,7(13,14)15)9(19,20)23-10(21,22)6(12,4-2)8(16,17)18/h3-4H2,1-2H3
InChIKeyNMPIXFXTRSYGPO-UHFFFAOYSA-N
MW374.17 g/mol
LogP5.55
Rot. Bonds6

About 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane

2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane (PubChem CID 87993084) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane.

Molecular Properties

Compound Name2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane
PubChem CID87993084
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane
SMILESCCC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(CC)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3-5(11,7(13,14)15)9(19,20)23-10(21,22)6(12,4-2)8(16,17)18/h3-4H2,1-2H3
InChIKeyNMPIXFXTRSYGPO-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.17
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane?
The IUPAC name of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane (CID 87993084) is 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane.
What is the SMILES notation for 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane?
The canonical SMILES for 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane is CCC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(CC)C(F)(F)F.
What is the InChIKey of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane?
The InChIKey is NMPIXFXTRSYGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-3-5(11,7(13,14)15)9(19,20)23-10(21,22)6(12,4-2)8(16,17)18/h3-4H2,1-2H3.
What are the key properties of 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane?
2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane has a molecular weight of 374.17 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane is sourced from PubChem (CID 87993084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).