21-fluorotriacontan-11-ol

C30H61FO — CID 173436816

IUPAC21-fluorotriacontan-11-ol
SMILESCCCCCCCCCCC(O)CCCCCCCCCC(F)CCCCCCCCC
InChIInChI=1S/C30H61FO/c1-3-5-7-9-11-15-19-23-27-30(32)28-24-20-16-12-14-18-22-26-29(31)25-21-17-13-10-8-6-4-2/h29-30,32H,3-28H2,1-2H3
InChIKeyDDRUOYOYJHISSV-UHFFFAOYSA-N
MW456.82 g/mol
LogP10.87
Rot. Bonds27

About 21-fluorotriacontan-11-ol

21-fluorotriacontan-11-ol (PubChem CID 173436816) has the molecular formula C30H61FO and a molecular weight of 456.82 g/mol. Its IUPAC name is 21-fluorotriacontan-11-ol.

Molecular Properties

Compound Name21-fluorotriacontan-11-ol
PubChem CID173436816
Molecular FormulaC30H61FO
Molecular Weight456.82 g/mol
Exact Mass456.47
IUPAC Name21-fluorotriacontan-11-ol
SMILESCCCCCCCCCCC(O)CCCCCCCCCC(F)CCCCCCCCC
InChIInChI=1S/C30H61FO/c1-3-5-7-9-11-15-19-23-27-30(32)28-24-20-16-12-14-18-22-26-29(31)25-21-17-13-10-8-6-4-2/h29-30,32H,3-28H2,1-2H3
InChIKeyDDRUOYOYJHISSV-UHFFFAOYSA-N
XLogP10.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 510.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
icosane-3,10-diol
CID 141217833
icosane-5,10-diol
CID 170722579
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of 21-fluorotriacontan-11-ol?
The IUPAC name of 21-fluorotriacontan-11-ol (CID 173436816) is 21-fluorotriacontan-11-ol.
What is the SMILES notation for 21-fluorotriacontan-11-ol?
The canonical SMILES for 21-fluorotriacontan-11-ol is CCCCCCCCCCC(O)CCCCCCCCCC(F)CCCCCCCCC.
What is the InChIKey of 21-fluorotriacontan-11-ol?
The InChIKey is DDRUOYOYJHISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61FO/c1-3-5-7-9-11-15-19-23-27-30(32)28-24-20-16-12-14-18-22-26-29(31)25-21-17-13-10-8-6-4-2/h29-30,32H,3-28H2,1-2H3.
What are the key properties of 21-fluorotriacontan-11-ol?
21-fluorotriacontan-11-ol has a molecular weight of 456.82 g/mol, XLogP of 10.87, 27 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21-fluorotriacontan-11-ol is sourced from PubChem (CID 173436816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).