1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane

C10H7F15O — CID 19761978

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane
SMILESCC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F15O/c1-3(2)26-10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h3H,1-2H3
InChIKeyXPBRCKVCZDYUTB-UHFFFAOYSA-N
MW428.14 g/mol
LogP5.74
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane (PubChem CID 19761978) has the molecular formula C10H7F15O and a molecular weight of 428.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane
PubChem CID19761978
Molecular FormulaC10H7F15O
Molecular Weight428.14 g/mol
Exact Mass428.03
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane
SMILESCC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F15O/c1-3(2)26-10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h3H,1-2H3
InChIKeyXPBRCKVCZDYUTB-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.14
LogP ≤ 55.74
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 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane (CID 19761978) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane is CC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane?
The InChIKey is XPBRCKVCZDYUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F15O/c1-3(2)26-10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h3H,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane has a molecular weight of 428.14 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-propan-2-yloxyheptane is sourced from PubChem (CID 19761978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).