2-fluorotridecan-1-ol

C13H27FO — CID 54139332

IUPAC2-fluorotridecan-1-ol
SMILESCCCCCCCCCCCC(F)CO
InChIInChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h13,15H,2-12H2,1H3
InChIKeyNZZGBWDPMHPEDY-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.24
Rot. Bonds11

About 2-fluorotridecan-1-ol

2-fluorotridecan-1-ol (PubChem CID 54139332) has the molecular formula C13H27FO and a molecular weight of 218.36 g/mol. Its IUPAC name is 2-fluorotridecan-1-ol.

Molecular Properties

Compound Name2-fluorotridecan-1-ol
PubChem CID54139332
Molecular FormulaC13H27FO
Molecular Weight218.36 g/mol
Exact Mass218.20
IUPAC Name2-fluorotridecan-1-ol
SMILESCCCCCCCCCCCC(F)CO
InChIInChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h13,15H,2-12H2,1H3
InChIKeyNZZGBWDPMHPEDY-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

2-fluoroundecan-1-ol
CID 15918974
(2R)-2-fluorodecan-1-ol
CID 54309655
2-fluorononan-1-ol
CID 15918975
(5S)-5-fluorotetradecan-1-ol
CID 139697947
(4R)-4-fluorodecane
CID 88903478
21-fluorotriacontan-11-ol
CID 173436816
4-fluorononane
CID 15062450
4-fluoropentadec-1-ene
CID 143980948
(2S)-2-fluorooctan-1-ol;4-methylbenzenesulfonic acid
CID 71352221
2-pentyltridecan-1-ol
CID 19896300
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467

Frequently Asked Questions

What is the IUPAC name of 2-fluorotridecan-1-ol?
The IUPAC name of 2-fluorotridecan-1-ol (CID 54139332) is 2-fluorotridecan-1-ol.
What is the SMILES notation for 2-fluorotridecan-1-ol?
The canonical SMILES for 2-fluorotridecan-1-ol is CCCCCCCCCCCC(F)CO.
What is the InChIKey of 2-fluorotridecan-1-ol?
The InChIKey is NZZGBWDPMHPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27FO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h13,15H,2-12H2,1H3.
What are the key properties of 2-fluorotridecan-1-ol?
2-fluorotridecan-1-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 2-fluorotridecan-1-ol is sourced from PubChem (CID 54139332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).