2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane

C10H11F11O — CID 126608109

IUPAC2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(F)C(F)(F)F
InChIInChI=1S/C10H11F11O/c1-4-5(2,11)7(13,9(17,18)19)10(20,21)22-6(3,12)8(14,15)16/h4H2,1-3H3
InChIKeyKNTFSLJURFEVQA-UHFFFAOYSA-N
MW356.18 g/mol
LogP5.25
Rot. Bonds5

About 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane

2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane (PubChem CID 126608109) has the molecular formula C10H11F11O and a molecular weight of 356.18 g/mol. Its IUPAC name is 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
PubChem CID126608109
Molecular FormulaC10H11F11O
Molecular Weight356.18 g/mol
Exact Mass356.06
IUPAC Name2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(F)C(F)(F)F
InChIInChI=1S/C10H11F11O/c1-4-5(2,11)7(13,9(17,18)19)10(20,21)22-6(3,12)8(14,15)16/h4H2,1-3H3
InChIKeyKNTFSLJURFEVQA-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.18
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane with MolForge

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Related Compounds

1,1,1,2,2,3,4,5,6,6,6-Undecafluoro-5-methoxy-3-methyl-4-propan-2-ylhexane
CID 19761923
2-Ethoxy-1,1,1,2,3,4,5,5,6,6,6-undecafluoro-4-methyl-3-propan-2-ylhexane
CID 19761925
2-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-methyl-3-propan-2-ylpentane
CID 19761966
1,1,1,2,3,4,5,5,5-Nonafluoro-2-methoxy-4-methyl-3-propan-2-ylpentane
CID 19761969
4-Ethyl-2,2,3,4,6,6-hexafluoro-3-(trifluoromethyl)oxane
CID 58488800
2,3-Bis(1,1-difluoroethyl)-2,3,5,5-tetrafluoro-4-methyloxolane
CID 58731899
3,4-Diethyl-2,2,3,4,5,5-hexafluorooxolane
CID 59628185
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2-tetrafluoropentane
CID 87992371
2-[Difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88557571
3-[(2-Ethyl-1,1,2,3,3-pentafluoropentoxy)-difluoromethyl]-3,4,4-trifluorohexane
CID 88857735
1,1,1,2,3,4,5,5,5-Nonafluoro-3-pentoxy-2-(trifluoromethyl)pentane
CID 88866006
1,1,1,2,3,4,5,5,5-Nonafluoro-2-pentoxy-4-(trifluoromethyl)pentane
CID 88866011

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The IUPAC name of 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane (CID 126608109) is 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane.
What is the SMILES notation for 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The canonical SMILES for 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane is CCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The InChIKey is KNTFSLJURFEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O/c1-4-5(2,11)7(13,9(17,18)19)10(20,21)22-6(3,12)8(14,15)16/h4H2,1-3H3.
What are the key properties of 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane has a molecular weight of 356.18 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,1,2-tetrafluoropropan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane is sourced from PubChem (CID 126608109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).