4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine

C8H17F2NO — CID 82003924

IUPAC4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,6-11)3-4-12-5-7(9)10/h7H,3-6,11H2,1-2H3
InChIKeyWGFHPADTXRUQLW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.64
Rot. Bonds6

About 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine

4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine (PubChem CID 82003924) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
PubChem CID82003924
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,6-11)3-4-12-5-7(9)10/h7H,3-6,11H2,1-2H3
InChIKeyWGFHPADTXRUQLW-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.64
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

1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
3-(2,2-difluoroethoxy)-1,1,1-trifluoropropane
CID 126707171
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112587280
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103526832
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
2,2-difluoroethoxymethanamine
CID 162615781
3-(2,2-difluoroethoxy)-2,2-dimethylpropane-1-sulfonamide
CID 82008850

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine (CID 82003924) is 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCOCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine?
The InChIKey is WGFHPADTXRUQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,6-11)3-4-12-5-7(9)10/h7H,3-6,11H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine?
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine has a molecular weight of 181.23 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 82003924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).