N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine

C8H17F2NO — CID 82009436

IUPACN-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-7(2)11-4-5-12-6-8(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyWHGBTJNOHXBLGR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.66
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine (PubChem CID 82009436) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
PubChem CID82009436
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
SMILESCCC(C)NCCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-7(2)11-4-5-12-6-8(9)10/h7-8,11H,3-6H2,1-2H3
InChIKeyWHGBTJNOHXBLGR-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.66
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

N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
CID 103082762
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
CID 103208190
N-(2-methoxyethyl)butan-2-amine
CID 43190188
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
1-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713728
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211
N-[2-(2,2-difluoroethoxy)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 102977075
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3,4-dimethoxyphenyl)ethanamine
CID 102977990

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine (CID 82009436) is N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine is CCC(C)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine?
The InChIKey is WHGBTJNOHXBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-7(2)11-4-5-12-6-8(9)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 82009436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).