1-fluorotridecan-2-ol

C13H27FO — CID 139710681

IUPAC1-fluorotridecan-2-ol
SMILESCCCCCCCCCCCC(O)CF
InChIInChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h13,15H,2-12H2,1H3
InChIKeyBKCAFFGJZPMXFX-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.24
Rot. Bonds11

About 1-fluorotridecan-2-ol

1-fluorotridecan-2-ol (PubChem CID 139710681) has the molecular formula C13H27FO and a molecular weight of 218.36 g/mol. Its IUPAC name is 1-fluorotridecan-2-ol.

Molecular Properties

Compound Name1-fluorotridecan-2-ol
PubChem CID139710681
Molecular FormulaC13H27FO
Molecular Weight218.36 g/mol
Exact Mass218.20
IUPAC Name1-fluorotridecan-2-ol
SMILESCCCCCCCCCCCC(O)CF
InChIInChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h13,15H,2-12H2,1H3
InChIKeyBKCAFFGJZPMXFX-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.24
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

1-fluorohexan-2-ol
CID 11819078
icosan-3-ol
CID 14940768
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
icosane-3,10-diol
CID 141217833
dodecan-3-ol;propane
CID 159624658

Frequently Asked Questions

What is the IUPAC name of 1-fluorotridecan-2-ol?
The IUPAC name of 1-fluorotridecan-2-ol (CID 139710681) is 1-fluorotridecan-2-ol.
What is the SMILES notation for 1-fluorotridecan-2-ol?
The canonical SMILES for 1-fluorotridecan-2-ol is CCCCCCCCCCCC(O)CF.
What is the InChIKey of 1-fluorotridecan-2-ol?
The InChIKey is BKCAFFGJZPMXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h13,15H,2-12H2,1H3.
What are the key properties of 1-fluorotridecan-2-ol?
1-fluorotridecan-2-ol has a molecular weight of 218.36 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorotridecan-2-ol is sourced from PubChem (CID 139710681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).