1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane

C11H14F10O — CID 89356141

IUPAC1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane
SMILESCCCC(C)(OC(F)(F)C(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O/c1-4-5-7(2,8(3,13)11(19,20)21)22-10(17,18)6(12)9(14,15)16/h6H,4-5H2,1-3H3
InChIKeyMOHMBPQRMKHKRW-UHFFFAOYSA-N
MW352.21 g/mol
LogP5.35
Rot. Bonds6

About 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane

1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane (PubChem CID 89356141) has the molecular formula C11H14F10O and a molecular weight of 352.21 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane
PubChem CID89356141
Molecular FormulaC11H14F10O
Molecular Weight352.21 g/mol
Exact Mass352.09
IUPAC Name1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane
SMILESCCCC(C)(OC(F)(F)C(F)C(F)(F)F)C(C)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O/c1-4-5-7(2,8(3,13)11(19,20)21)22-10(17,18)6(12)9(14,15)16/h6H,4-5H2,1-3H3
InChIKeyMOHMBPQRMKHKRW-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.21
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane?
The IUPAC name of 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane (CID 89356141) is 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane is CCCC(C)(OC(F)(F)C(F)C(F)(F)F)C(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane?
The InChIKey is MOHMBPQRMKHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F10O/c1-4-5-7(2,8(3,13)11(19,20)21)22-10(17,18)6(12)9(14,15)16/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane?
1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane has a molecular weight of 352.21 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-(1,1,2,3,3,3-hexafluoropropoxy)-2,3-dimethylhexane is sourced from PubChem (CID 89356141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).