4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol

C15H20F12O2 — CID 121403333

IUPAC4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
SMILESCCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C15H20F12O2/c1-2-3-4-8-29-9-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16,17)6-5-7-28/h28H,2-9H2,1H3
InChIKeySFHTVWPNTCFLOF-UHFFFAOYSA-N
MW460.30 g/mol
LogP5.78
Rot. Bonds14

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

4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol (PubChem CID 121403333) has the molecular formula C15H20F12O2 and a molecular weight of 460.30 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
PubChem CID121403333
Molecular FormulaC15H20F12O2
Molecular Weight460.30 g/mol
Exact Mass460.13
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
SMILESCCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C15H20F12O2/c1-2-3-4-8-29-9-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16,17)6-5-7-28/h28H,2-9H2,1H3
InChIKeySFHTVWPNTCFLOF-UHFFFAOYSA-N
XLogP5.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.30
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol with MolForge

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Related Compounds

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CID 121403378
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
CID 121403285
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
4-[4-(4-pentoxybutoxy)butoxy]butan-1-ol
CID 87472391
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-octoxydodecane
CID 18787826
5-octoxypentan-1-ol
CID 22407981
9-nonoxynonan-1-ol
CID 57318642
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
1-butoxybutane;hexadecan-1-ol;octadecan-1-ol
CID 174405744
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol (CID 121403333) is 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol is CCCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol?
The InChIKey is SFHTVWPNTCFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F12O2/c1-2-3-4-8-29-9-11(18,19)13(22,23)15(26,27)14(24,25)12(20,21)10(16,17)6-5-7-28/h28H,2-9H2,1H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol?
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol has a molecular weight of 460.30 g/mol, XLogP of 5.78, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol is sourced from PubChem (CID 121403333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).