2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

C14H19F11O — CID 88866206

IUPAC2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(C)(F)C(F)(F)F
InChIInChI=1S/C14H19F11O/c1-6-8(3,15)11(17,13(21,22)23)14(24,25)26-9(4,7-2)10(5,16)12(18,19)20/h6-7H2,1-5H3
InChIKeyDVQYOROEVXBVAL-UHFFFAOYSA-N
MW412.28 g/mol
LogP6.46
Rot. Bonds7

About 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane

2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (PubChem CID 88866206) has the molecular formula C14H19F11O and a molecular weight of 412.28 g/mol. Its IUPAC name is 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.

Molecular Properties

Compound Name2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
PubChem CID88866206
Molecular FormulaC14H19F11O
Molecular Weight412.28 g/mol
Exact Mass412.13
IUPAC Name2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
SMILESCCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(C)(F)C(F)(F)F
InChIInChI=1S/C14H19F11O/c1-6-8(3,15)11(17,13(21,22)23)14(24,25)26-9(4,7-2)10(5,16)12(18,19)20/h6-7H2,1-5H3
InChIKeyDVQYOROEVXBVAL-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3-Trimethyl-2-(3,3,3-trifluoropropyl)oxirane
CID 10607497
2-Fluoro-3-propan-2-yl-3-(1,1,1,2-tetrafluoropropan-2-yl)-2-(trifluoromethyl)oxirane
CID 19067257
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)hexane
CID 20756248
3-(1,1-Difluoroethyl)-3-[3-(1,1-difluoroethyl)-2,2,4,4-tetrafluoropentan-3-yl]oxy-2,2,4,4-tetrafluoropentane
CID 57831802
2,2,4,4,7-Pentafluoro-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
CID 60034415
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
2-[Difluoro(3,4,4,4-tetrafluorobutan-2-yloxy)methyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88866197
1,1,2,2,3,3-Hexafluoro-4-methoxy-4-methyl-1-(3,3,4,4-tetrafluoro-2-methylpentan-2-yl)oxypentane
CID 88866205
2-[Difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88907472
(2R)-2-[difluoro-(1,1,1,2-tetrafluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88907560
2-[Difluoro-(3,4,4,4-tetrafluoro-3-methylbutan-2-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88907626

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The IUPAC name of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane (CID 88866206) is 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane.
What is the SMILES notation for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The canonical SMILES for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is CCC(C)(F)C(F)(C(F)(F)F)C(F)(F)OC(C)(CC)C(C)(F)C(F)(F)F.
What is the InChIKey of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
The InChIKey is DVQYOROEVXBVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F11O/c1-6-8(3,15)11(17,13(21,22)23)14(24,25)26-9(4,7-2)10(5,16)12(18,19)20/h6-7H2,1-5H3.
What are the key properties of 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane?
2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane has a molecular weight of 412.28 g/mol, XLogP of 6.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane is sourced from PubChem (CID 88866206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).