12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol

C19H21F17O — CID 154477198

IUPAC12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol
SMILESC=CCCCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H21F17O/c1-2-3-4-5-6-7-8-9-11(37)10-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2,11,37H,1,3-10H2
InChIKeyMFHKDEPQUANXSX-UHFFFAOYSA-N
MW588.34 g/mol
LogP8.66
Rot. Bonds16

About 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol

12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol (PubChem CID 154477198) has the molecular formula C19H21F17O and a molecular weight of 588.34 g/mol. Its IUPAC name is 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol.

Molecular Properties

Compound Name12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol
PubChem CID154477198
Molecular FormulaC19H21F17O
Molecular Weight588.34 g/mol
Exact Mass588.13
IUPAC Name12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol
SMILESC=CCCCCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H21F17O/c1-2-3-4-5-6-7-8-9-11(37)10-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2,11,37H,1,3-10H2
InChIKeyMFHKDEPQUANXSX-UHFFFAOYSA-N
XLogP8.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.34
LogP ≤ 58.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 98082097
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-[[(3E)-2-methylidenehexa-3,5-dienyl]amino]undecan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol?
The IUPAC name of 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol (CID 154477198) is 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol.
What is the SMILES notation for 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol?
The canonical SMILES for 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol is C=CCCCCCCCC(O)CC(F)(F)C(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 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol?
The InChIKey is MFHKDEPQUANXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F17O/c1-2-3-4-5-6-7-8-9-11(37)10-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h2,11,37H,1,3-10H2.
What are the key properties of 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol?
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol has a molecular weight of 588.34 g/mol, XLogP of 8.66, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol is sourced from PubChem (CID 154477198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).