9-fluoropentacosan-9-ol

C25H51FO — CID 139794548

IUPAC9-fluoropentacosan-9-ol
SMILESCCCCCCCCCCCCCCCCC(O)(F)CCCCCCCC
InChIInChI=1S/C25H51FO/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-25(26,27)23-21-19-10-8-6-4-2/h27H,3-24H2,1-2H3
InChIKeyKSEPBMAHYZAWPV-UHFFFAOYSA-N
MW386.68 g/mol
LogP9.27
Rot. Bonds22

About 9-fluoropentacosan-9-ol

9-fluoropentacosan-9-ol (PubChem CID 139794548) has the molecular formula C25H51FO and a molecular weight of 386.68 g/mol. Its IUPAC name is 9-fluoropentacosan-9-ol.

Molecular Properties

Compound Name9-fluoropentacosan-9-ol
PubChem CID139794548
Molecular FormulaC25H51FO
Molecular Weight386.68 g/mol
Exact Mass386.39
IUPAC Name9-fluoropentacosan-9-ol
SMILESCCCCCCCCCCCCCCCCC(O)(F)CCCCCCCC
InChIInChI=1S/C25H51FO/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-25(26,27)23-21-19-10-8-6-4-2/h27H,3-24H2,1-2H3
InChIKeyKSEPBMAHYZAWPV-UHFFFAOYSA-N
XLogP9.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.68
LogP ≤ 59.27
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

5-fluoro-2-methyldecan-5-ol
CID 139754865
1,1,1-trifluorohexadecane
CID 15685316
triacontane-1,1,1-triol
CID 87376487
7-hexylhexadecan-7-ol
CID 141253911
docosane-10,10-diol
CID 20528880
tritriacontane-15,15,16,16-tetrol
CID 19863089
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
dodecane-1,1,1-triol
CID 22412604
2-methyldodecan-2-ol
CID 547702
13-methylheptacosan-13-ol
CID 87343529
hexadecane-1,1,1-triol;hydrobromide
CID 174918449

Frequently Asked Questions

What is the IUPAC name of 9-fluoropentacosan-9-ol?
The IUPAC name of 9-fluoropentacosan-9-ol (CID 139794548) is 9-fluoropentacosan-9-ol.
What is the SMILES notation for 9-fluoropentacosan-9-ol?
The canonical SMILES for 9-fluoropentacosan-9-ol is CCCCCCCCCCCCCCCCC(O)(F)CCCCCCCC.
What is the InChIKey of 9-fluoropentacosan-9-ol?
The InChIKey is KSEPBMAHYZAWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51FO/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-25(26,27)23-21-19-10-8-6-4-2/h27H,3-24H2,1-2H3.
What are the key properties of 9-fluoropentacosan-9-ol?
9-fluoropentacosan-9-ol has a molecular weight of 386.68 g/mol, XLogP of 9.27, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoropentacosan-9-ol is sourced from PubChem (CID 139794548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).