azane;1-fluorododecane

C12H28FN — CID 175529210

IUPACazane;1-fluorododecane
SMILESCCCCCCCCCCCCF.N
InChIInChI=1S/C12H25F.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-12H2,1H3;1H3
InChIKeyOERCIPBATPHBCV-UHFFFAOYSA-N
MW205.36 g/mol
LogP5.04
Rot. Bonds10

About azane;1-fluorododecane

azane;1-fluorododecane (PubChem CID 175529210) has the molecular formula C12H28FN and a molecular weight of 205.36 g/mol. Its IUPAC name is azane;1-fluorododecane.

Molecular Properties

Compound Nameazane;1-fluorododecane
PubChem CID175529210
Molecular FormulaC12H28FN
Molecular Weight205.36 g/mol
Exact Mass205.22
IUPAC Nameazane;1-fluorododecane
SMILESCCCCCCCCCCCCF.N
InChIInChI=1S/C12H25F.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-12H2,1H3;1H3
InChIKeyOERCIPBATPHBCV-UHFFFAOYSA-N
XLogP5.04
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.36
LogP ≤ 55.04
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-fluorododecane;hexane
CID 174651345
1-fluoroheptatriacontane
CID 54496561
1-fluoropentane;methane
CID 160548083
1-fluoropentane;hydrofluoride
CID 159001340
azane;1-fluorobutane
CID 172690473
boric acid;1-fluorooctane
CID 174838883
1-fluoropentane;tetrafluoromethane
CID 175069152
ethane;1-fluorohexane;hexylazanium
CID 145193616
1-(4-fluorobutylsulfanyl)undecane
CID 54210142
1-fluoro-7-methylpentacosane
CID 88638363
ethane;1-fluoro-15-pentoxypentadecane
CID 145255757
1-fluorotetradecane;2-methylpentane
CID 175589258

Frequently Asked Questions

What is the IUPAC name of azane;1-fluorododecane?
The IUPAC name of azane;1-fluorododecane (CID 175529210) is azane;1-fluorododecane.
What is the SMILES notation for azane;1-fluorododecane?
The canonical SMILES for azane;1-fluorododecane is CCCCCCCCCCCCF.N.
What is the InChIKey of azane;1-fluorododecane?
The InChIKey is OERCIPBATPHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13;/h2-12H2,1H3;1H3.
What are the key properties of azane;1-fluorododecane?
azane;1-fluorododecane has a molecular weight of 205.36 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-fluorododecane is sourced from PubChem (CID 175529210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).