1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol

C20H16F26O — CID 10974721

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol
SMILESCC(O)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H16F26O/c1-8(47,4-2-6-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-3-7-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h47H,2-7H2,1H3
InChIKeyDVQHGEDQHXZXAI-UHFFFAOYSA-N
MW766.29 g/mol
LogP10.56
Rot. Bonds16

About 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol

1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol (PubChem CID 10974721) has the molecular formula C20H16F26O and a molecular weight of 766.29 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol
PubChem CID10974721
Molecular FormulaC20H16F26O
Molecular Weight766.29 g/mol
Exact Mass766.08
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol
SMILESCC(O)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H16F26O/c1-8(47,4-2-6-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-3-7-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h47H,2-7H2,1H3
InChIKeyDVQHGEDQHXZXAI-UHFFFAOYSA-N
XLogP10.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.29
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylhexadecan-8-ol
CID 162348371
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-2-methyltridec-1-en-1-one
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5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol (CID 10974721) is 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol is CC(O)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol?
The InChIKey is DVQHGEDQHXZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F26O/c1-8(47,4-2-6-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-3-7-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h47H,2-7H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol?
1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol has a molecular weight of 766.29 g/mol, XLogP of 10.56, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,14,14,15,15,16,16,17,17,18,18,19,19,19-hexacosafluoro-10-methylnonadecan-10-ol is sourced from PubChem (CID 10974721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).