2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane

C11H14F12O — CID 54203988

IUPAC2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
SMILESCCC(CC(C(F)(F)F)C(F)(F)OC(F)(F)CF)C(F)(F)F.CF
InChIInChI=1S/C10H11F11O.CH3F/c1-2-5(8(14,15)16)3-6(9(17,18)19)10(20,21)22-7(12,13)4-11;1-2/h5-6H,2-4H2,1H3;1H3
InChIKeyPRFNAXBKTAQVPU-UHFFFAOYSA-N
MW390.21 g/mol
LogP5.90
Rot. Bonds7

About 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane

2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane (PubChem CID 54203988) has the molecular formula C11H14F12O and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane.

Molecular Properties

Compound Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
PubChem CID54203988
Molecular FormulaC11H14F12O
Molecular Weight390.21 g/mol
Exact Mass390.09
IUPAC Name2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane
SMILESCCC(CC(C(F)(F)F)C(F)(F)OC(F)(F)CF)C(F)(F)F.CF
InChIInChI=1S/C10H11F11O.CH3F/c1-2-5(8(14,15)16)3-6(9(17,18)19)10(20,21)22-7(12,13)4-11;1-2/h5-6H,2-4H2,1H3;1H3
InChIKeyPRFNAXBKTAQVPU-UHFFFAOYSA-N
XLogP5.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.21
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane with MolForge

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Related Compounds

3-Butyl-2,2,3,4,4,5,5-heptafluorooxolane
CID 15788982
[Ethoxy(difluoro)methyl]cyclopentane
CID 18725580
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
5-Ethyl-2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxolane
CID 20725476
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane
CID 54203989
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
[1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane
CID 58436054

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane?
The IUPAC name of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane (CID 54203988) is 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane.
What is the SMILES notation for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane?
The canonical SMILES for 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane is CCC(CC(C(F)(F)F)C(F)(F)OC(F)(F)CF)C(F)(F)F.CF.
What is the InChIKey of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane?
The InChIKey is PRFNAXBKTAQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O.CH3F/c1-2-5(8(14,15)16)3-6(9(17,18)19)10(20,21)22-7(12,13)4-11;1-2/h5-6H,2-4H2,1H3;1H3.
What are the key properties of 2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane?
2-[difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane has a molecular weight of 390.21 g/mol, XLogP of 5.90, 7 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-trifluoroethoxy)methyl]-1,1,1-trifluoro-4-(trifluoromethyl)hexane;fluoromethane is sourced from PubChem (CID 54203988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).