6-(2,6-difluorophenoxy)hexan-1-amine

C12H17F2NO — CID 68648906

IUPAC6-(2,6-difluorophenoxy)hexan-1-amine
SMILESNCCCCCCOc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c13-10-6-5-7-11(14)12(10)16-9-4-2-1-3-8-15/h5-7H,1-4,8-9,15H2
InChIKeySYZQZUWJGGNPGL-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.86
Rot. Bonds7

About 6-(2,6-difluorophenoxy)hexan-1-amine

6-(2,6-difluorophenoxy)hexan-1-amine (PubChem CID 68648906) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 6-(2,6-difluorophenoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(2,6-difluorophenoxy)hexan-1-amine
PubChem CID68648906
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name6-(2,6-difluorophenoxy)hexan-1-amine
SMILESNCCCCCCOc1c(F)cccc1F
InChIInChI=1S/C12H17F2NO/c13-10-6-5-7-11(14)12(10)16-9-4-2-1-3-8-15/h5-7H,1-4,8-9,15H2
InChIKeySYZQZUWJGGNPGL-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433
3-fluoro-2-hexoxyaniline
CID 104831272
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
5-[2-(2,6-dimethylphenoxy)ethoxy]pentan-1-amine
CID 82353657
6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
4-(2,6-difluorophenoxy)butanehydrazide
CID 81268570
2-amino-6-(2,6-difluorophenoxy)-2-methylhexanoic acid
CID 81269489

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenoxy)hexan-1-amine?
The IUPAC name of 6-(2,6-difluorophenoxy)hexan-1-amine (CID 68648906) is 6-(2,6-difluorophenoxy)hexan-1-amine.
What is the SMILES notation for 6-(2,6-difluorophenoxy)hexan-1-amine?
The canonical SMILES for 6-(2,6-difluorophenoxy)hexan-1-amine is NCCCCCCOc1c(F)cccc1F.
What is the InChIKey of 6-(2,6-difluorophenoxy)hexan-1-amine?
The InChIKey is SYZQZUWJGGNPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c13-10-6-5-7-11(14)12(10)16-9-4-2-1-3-8-15/h5-7H,1-4,8-9,15H2.
What are the key properties of 6-(2,6-difluorophenoxy)hexan-1-amine?
6-(2,6-difluorophenoxy)hexan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenoxy)hexan-1-amine is sourced from PubChem (CID 68648906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).