1-fluorododecane

C12H25F — CID 9548

IUPAC1-fluorododecane
SMILESCCCCCCCCCCCCF
InChIInChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKeyYHYBNVZCQIDLSQ-UHFFFAOYSA-N
MW188.33 g/mol
LogP4.88
Rot. Bonds10

About 1-fluorododecane

1-fluorododecane (PubChem CID 9548) has the molecular formula C12H25F and a molecular weight of 188.33 g/mol. Its IUPAC name is 1-fluorododecane.

Molecular Properties

Compound Name1-fluorododecane
PubChem CID9548
Molecular FormulaC12H25F
Molecular Weight188.33 g/mol
Exact Mass188.19
IUPAC Name1-fluorododecane
SMILESCCCCCCCCCCCCF
InChIInChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKeyYHYBNVZCQIDLSQ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Decane
CID 15600
Octane
CID 356
Nonane
CID 8141
Undecane
CID 14257
Tridecane
CID 12388
Dodecane
CID 8182
Tetradecane
CID 12389
Perfluorohexyloctane
CID 10477896
1-Fluorodecane
CID 9541
1-Fluorooctane
CID 10027
1-Fluorononane
CID 10029
1-Fluorotetradecane
CID 79053

Frequently Asked Questions

What is the IUPAC name of 1-fluorododecane?
The IUPAC name of 1-fluorododecane (CID 9548) is 1-fluorododecane.
What is the SMILES notation for 1-fluorododecane?
The canonical SMILES for 1-fluorododecane is CCCCCCCCCCCCF.
What is the InChIKey of 1-fluorododecane?
The InChIKey is YHYBNVZCQIDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3.
What are the key properties of 1-fluorododecane?
1-fluorododecane has a molecular weight of 188.33 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorododecane is sourced from PubChem (CID 9548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).