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

C8H17F2NO — CID 82006295

IUPAC6-(2,2-difluoroethoxy)hexan-1-amine
SMILESNCCCCCCOCC(F)F
InChIInChI=1S/C8H17F2NO/c9-8(10)7-12-6-4-2-1-3-5-11/h8H,1-7,11H2
InChIKeyMIGVHHQPPKNLFB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.79
Rot. Bonds8

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

6-(2,2-difluoroethoxy)hexan-1-amine (PubChem CID 82006295) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)hexan-1-amine
PubChem CID82006295
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name6-(2,2-difluoroethoxy)hexan-1-amine
SMILESNCCCCCCOCC(F)F
InChIInChI=1S/C8H17F2NO/c9-8(10)7-12-6-4-2-1-3-5-11/h8H,1-7,11H2
InChIKeyMIGVHHQPPKNLFB-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.79
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

3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
CID 103208149
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
4-(2,2-difluoroethoxy)butane-1-thiol
CID 82010283
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
2,2-difluoroethoxymethanamine
CID 162615781
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)hexan-1-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)hexan-1-amine (CID 82006295) is 6-(2,2-difluoroethoxy)hexan-1-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)hexan-1-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)hexan-1-amine is NCCCCCCOCC(F)F.
What is the InChIKey of 6-(2,2-difluoroethoxy)hexan-1-amine?
The InChIKey is MIGVHHQPPKNLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c9-8(10)7-12-6-4-2-1-3-5-11/h8H,1-7,11H2.
What are the key properties of 6-(2,2-difluoroethoxy)hexan-1-amine?
6-(2,2-difluoroethoxy)hexan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)hexan-1-amine is sourced from PubChem (CID 82006295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).