ethane;1-fluorohexane;hexylazanium

C14H35FN+ — CID 145193616

IUPACethane;1-fluorohexane;hexylazanium
SMILESCC.CCCCCCF.CCCCCC[NH3+]
InChIInChI=1S/C6H13F.C6H15N.C2H6/c2*1-2-3-4-5-6-7;1-2/h2-6H2,1H3;2-7H2,1H3;1-2H3/p+1
InChIKeyBBVHYSJGZJFDMA-UHFFFAOYSA-O
MW236.44 g/mol
LogP4.37
Rot. Bonds8

About ethane;1-fluorohexane;hexylazanium

ethane;1-fluorohexane;hexylazanium (PubChem CID 145193616) has the molecular formula C14H35FN+ and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;1-fluorohexane;hexylazanium.

Molecular Properties

Compound Nameethane;1-fluorohexane;hexylazanium
PubChem CID145193616
Molecular FormulaC14H35FN+
Molecular Weight236.44 g/mol
Exact Mass236.27
IUPAC Nameethane;1-fluorohexane;hexylazanium
SMILESCC.CCCCCCF.CCCCCC[NH3+]
InChIInChI=1S/C6H13F.C6H15N.C2H6/c2*1-2-3-4-5-6-7;1-2/h2-6H2,1H3;2-7H2,1H3;1-2H3/p+1
InChIKeyBBVHYSJGZJFDMA-UHFFFAOYSA-O
XLogP4.37
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 54496561
azane;1-fluorododecane
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tris(octadecylazanium);tribromide
CID 141071881
undecylazanium bromide
CID 87480687
tetratriacontylazanium bromide
CID 141191350
dodecylazanium;hydrochloride
CID 22568612
dodecylazanium tetrafluoroborate
CID 141181929
tridecylazanium;chloride;hydrate
CID 139080710
dodecylazanium;bromide;hydrate
CID 139078665
1-fluoropentane;hydrofluoride
CID 159001340
1-fluoropentane;methane
CID 160548083

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluorohexane;hexylazanium?
The IUPAC name of ethane;1-fluorohexane;hexylazanium (CID 145193616) is ethane;1-fluorohexane;hexylazanium.
What is the SMILES notation for ethane;1-fluorohexane;hexylazanium?
The canonical SMILES for ethane;1-fluorohexane;hexylazanium is CC.CCCCCCF.CCCCCC[NH3+].
What is the InChIKey of ethane;1-fluorohexane;hexylazanium?
The InChIKey is BBVHYSJGZJFDMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13F.C6H15N.C2H6/c2*1-2-3-4-5-6-7;1-2/h2-6H2,1H3;2-7H2,1H3;1-2H3/p+1.
What are the key properties of ethane;1-fluorohexane;hexylazanium?
ethane;1-fluorohexane;hexylazanium has a molecular weight of 236.44 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluorohexane;hexylazanium is sourced from PubChem (CID 145193616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).