1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane

C9H10F10O — CID 19761914

IUPAC1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane
SMILESCC(C)OC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O/c1-4(2)20-5(3,8(14,15)16)6(10,11)7(12,13)9(17,18)19/h4H,1-3H3
InChIKeyDERIYBRQKSQLDP-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.57
Rot. Bonds4

About 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane

1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane (PubChem CID 19761914) has the molecular formula C9H10F10O and a molecular weight of 324.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane
PubChem CID19761914
Molecular FormulaC9H10F10O
Molecular Weight324.16 g/mol
Exact Mass324.06
IUPAC Name1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane
SMILESCC(C)OC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F10O/c1-4(2)20-5(3,8(14,15)16)6(10,11)7(12,13)9(17,18)19/h4H,1-3H3
InChIKeyDERIYBRQKSQLDP-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane (CID 19761914) is 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane is CC(C)OC(C)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane?
The InChIKey is DERIYBRQKSQLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O/c1-4(2)20-5(3,8(14,15)16)6(10,11)7(12,13)9(17,18)19/h4H,1-3H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane?
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane has a molecular weight of 324.16 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-propan-2-yloxypentane is sourced from PubChem (CID 19761914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).