[2-(1,6-difluorohexyl)phenyl]azanium

C12H18F2N+ — CID 22348881

IUPAC[2-(1,6-difluorohexyl)phenyl]azanium
SMILES[NH3+]c1ccccc1C(F)CCCCCF
InChIInChI=1S/C12H17F2N/c13-9-5-1-2-7-11(14)10-6-3-4-8-12(10)15/h3-4,6,8,11H,1-2,5,7,9,15H2/p+1
InChIKeyHPBMYFFNFFFIOI-UHFFFAOYSA-O
MW214.28 g/mol
LogP3.10
Rot. Bonds6

About [2-(1,6-difluorohexyl)phenyl]azanium

[2-(1,6-difluorohexyl)phenyl]azanium (PubChem CID 22348881) has the molecular formula C12H18F2N+ and a molecular weight of 214.28 g/mol. Its IUPAC name is [2-(1,6-difluorohexyl)phenyl]azanium.

Molecular Properties

Compound Name[2-(1,6-difluorohexyl)phenyl]azanium
PubChem CID22348881
Molecular FormulaC12H18F2N+
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name[2-(1,6-difluorohexyl)phenyl]azanium
SMILES[NH3+]c1ccccc1C(F)CCCCCF
InChIInChI=1S/C12H17F2N/c13-9-5-1-2-7-11(14)10-6-3-4-8-12(10)15/h3-4,6,8,11H,1-2,5,7,9,15H2/p+1
InChIKeyHPBMYFFNFFFIOI-UHFFFAOYSA-O
XLogP3.10
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.10
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

1-(1,6-difluorohexyl)-2,3,4,5-tetrafluorobenzene
CID 90872484
4-fluorobutyl(triphenyl)phosphanium
CID 21187191
3-fluoro-3-(2-methylphenyl)propan-1-amine
CID 84652798
1,6-difluoroheptane
CID 139983024
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
trichloro(10-fluorodecan-2-yl)silane
CID 139839795
2-[1,13,13-tris(2-hydroxyphenyl)tridecyl]phenol
CID 19886957
7-fluoroheptane-1-thiol
CID 57101489
2-(2-methylphenyl)decan-1-amine
CID 79421405
11-fluoroundecyl(triphenyl)phosphanium;methanesulfonic acid
CID 86678023
4-fluoro-4-phenylbutan-1-ol
CID 57250871
6-fluoro-6-phenylhexanoic acid
CID 70054294

Frequently Asked Questions

What is the IUPAC name of [2-(1,6-difluorohexyl)phenyl]azanium?
The IUPAC name of [2-(1,6-difluorohexyl)phenyl]azanium (CID 22348881) is [2-(1,6-difluorohexyl)phenyl]azanium.
What is the SMILES notation for [2-(1,6-difluorohexyl)phenyl]azanium?
The canonical SMILES for [2-(1,6-difluorohexyl)phenyl]azanium is [NH3+]c1ccccc1C(F)CCCCCF.
What is the InChIKey of [2-(1,6-difluorohexyl)phenyl]azanium?
The InChIKey is HPBMYFFNFFFIOI-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17F2N/c13-9-5-1-2-7-11(14)10-6-3-4-8-12(10)15/h3-4,6,8,11H,1-2,5,7,9,15H2/p+1.
What are the key properties of [2-(1,6-difluorohexyl)phenyl]azanium?
[2-(1,6-difluorohexyl)phenyl]azanium has a molecular weight of 214.28 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,6-difluorohexyl)phenyl]azanium is sourced from PubChem (CID 22348881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).