1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane

C10H10F12O — CID 13271511

IUPAC1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3(7(13,14)5(11)9(17,18)19)23-4(2)8(15,16)6(12)10(20,21)22/h3-6H,1-2H3
InChIKeyHFEXPRFOUHQQBI-UHFFFAOYSA-N
MW374.17 g/mol
LogP4.85
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane

1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane (PubChem CID 13271511) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
PubChem CID13271511
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3(7(13,14)5(11)9(17,18)19)23-4(2)8(15,16)6(12)10(20,21)22/h3-6H,1-2H3
InChIKeyHFEXPRFOUHQQBI-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane (CID 13271511) is 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane is CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
The InChIKey is HFEXPRFOUHQQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-3(7(13,14)5(11)9(17,18)19)23-4(2)8(15,16)6(12)10(20,21)22/h3-6H,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane?
1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane has a molecular weight of 374.17 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)pentane is sourced from PubChem (CID 13271511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).