4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol

C10H7F15O — CID 2783377

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
SMILESOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2
InChIKeyLWCLGUDCFDTQBF-UHFFFAOYSA-N
MW428.14 g/mol
LogP5.13
Rot. Bonds8

About 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol

4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol (PubChem CID 2783377) has the molecular formula C10H7F15O and a molecular weight of 428.14 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
PubChem CID2783377
Molecular FormulaC10H7F15O
Molecular Weight428.14 g/mol
Exact Mass428.03
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol
SMILESOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2
InChIKeyLWCLGUDCFDTQBF-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.14
LogP ≤ 55.13
H-Bond Donors ≤ 51
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 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol (CID 2783377) is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol is OCCCC(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 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol?
The InChIKey is LWCLGUDCFDTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F15O/c11-4(12,2-1-3-26)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h26H,1-3H2.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol?
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol has a molecular weight of 428.14 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecan-1-ol is sourced from PubChem (CID 2783377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).