1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol

C15H19F13O — CID 149252552

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
SMILESCCCCCCCCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F13O/c1-2-3-4-5-6-7-8-9(29)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h9,29H,2-8H2,1H3
InChIKeyWTHYOQMDMABEKC-UHFFFAOYSA-N
MW462.29 g/mol
LogP6.84
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol (PubChem CID 149252552) has the molecular formula C15H19F13O and a molecular weight of 462.29 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
PubChem CID149252552
Molecular FormulaC15H19F13O
Molecular Weight462.29 g/mol
Exact Mass462.12
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
SMILESCCCCCCCCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F13O/c1-2-3-4-5-6-7-8-9(29)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h9,29H,2-8H2,1H3
InChIKeyWTHYOQMDMABEKC-UHFFFAOYSA-N
XLogP6.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.29
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol with MolForge

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Related Compounds

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CID 533683
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CID 177342292
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane
CID 175360578
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)octadecanoic acid
CID 15142415
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-methylidenetetradecanoic acid
CID 87338330
7-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctadecane
CID 151414921
6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
CID 153324190
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol (CID 149252552) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol is CCCCCCCCC(O)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-tridecafluoropentadecan-7-ol?
The InChIKey is WTHYOQMDMABEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F13O/c1-2-3-4-5-6-7-8-9(29)10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h9,29H,2-8H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol has a molecular weight of 462.29 g/mol, XLogP of 6.84, 12 rotatable bonds, 1 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-tridecafluoropentadecan-7-ol is sourced from PubChem (CID 149252552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).