(13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol

C22H37F3O — CID 88884921

IUPAC(13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C22H37F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(26)22(23,24)25/h3-4,6-7,9-10,21,26H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-
InChIKeyFQHJSYFMEBWROS-PDBXOOCHSA-N
MW374.53 g/mol
LogP7.67
Rot. Bonds16

About (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol

(13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol (PubChem CID 88884921) has the molecular formula C22H37F3O and a molecular weight of 374.53 g/mol. Its IUPAC name is (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol.

Molecular Properties

Compound Name(13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol
PubChem CID88884921
Molecular FormulaC22H37F3O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC Name(13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCCC(O)C(F)(F)F
InChIInChI=1S/C22H37F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(26)22(23,24)25/h3-4,6-7,9-10,21,26H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-
InChIKeyFQHJSYFMEBWROS-PDBXOOCHSA-N
XLogP7.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.67
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'}

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Frequently Asked Questions

What is the IUPAC name of (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol?
The IUPAC name of (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol (CID 88884921) is (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol.
What is the SMILES notation for (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol?
The canonical SMILES for (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol is CC/C=C\C/C=C\C/C=C\CCCCCCCCCCC(O)C(F)(F)F.
What is the InChIKey of (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol?
The InChIKey is FQHJSYFMEBWROS-PDBXOOCHSA-N. The full InChI is InChI=1S/C22H37F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(26)22(23,24)25/h3-4,6-7,9-10,21,26H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol?
(13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol has a molecular weight of 374.53 g/mol, XLogP of 7.67, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,16Z,19Z)-1,1,1-trifluorodocosa-13,16,19-trien-2-ol is sourced from PubChem (CID 88884921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).