1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol

C19HF39O — CID 87961737

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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/C19HF39O/c20-1(21,2(22,23)4(26,27)6(30,31)8(34,35)10(38,39)12(42,43)14(46,47)16(50,51)18(54,55)56)3(24,25)5(28,29)7(32,33)9(36,37)11(40,41)13(44,45)15(48,49)17(52,53)19(57,58)59/h59H
InChIKeySPYWUYBONNEZRY-UHFFFAOYSA-N
MW986.14 g/mol
LogP11.93
Rot. Bonds17

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol (PubChem CID 87961737) has the molecular formula C19HF39O and a molecular weight of 986.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol
PubChem CID87961737
Molecular FormulaC19HF39O
Molecular Weight986.14 g/mol
Exact Mass985.94
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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/C19HF39O/c20-1(21,2(22,23)4(26,27)6(30,31)8(34,35)10(38,39)12(42,43)14(46,47)16(50,51)18(54,55)56)3(24,25)5(28,29)7(32,33)9(36,37)11(40,41)13(44,45)15(48,49)17(52,53)19(57,58)59/h59H
InChIKeySPYWUYBONNEZRY-UHFFFAOYSA-N
XLogP11.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.14
LogP ≤ 511.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol (CID 87961737) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol is OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol?
The InChIKey is SPYWUYBONNEZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19HF39O/c20-1(21,2(22,23)4(26,27)6(30,31)8(34,35)10(38,39)12(42,43)14(46,47)16(50,51)18(54,55)56)3(24,25)5(28,29)7(32,33)9(36,37)11(40,41)13(44,45)15(48,49)17(52,53)19(57,58)59/h59H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol has a molecular weight of 986.14 g/mol, XLogP of 11.93, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-nonatriacontafluorononadecan-1-ol is sourced from PubChem (CID 87961737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).