2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine

C9H19F2NO2 — CID 157155085

IUPAC2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine
SMILESCCC(F)(F)CNCCOCCOC
InChIInChI=1S/C9H19F2NO2/c1-3-9(10,11)8-12-4-5-14-7-6-13-2/h12H,3-8H2,1-2H3
InChIKeyHWTFIJIUKNBBAB-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.28
Rot. Bonds9

About 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine

2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine (PubChem CID 157155085) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine
PubChem CID157155085
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine
SMILESCCC(F)(F)CNCCOCCOC
InChIInChI=1S/C9H19F2NO2/c1-3-9(10,11)8-12-4-5-14-7-6-13-2/h12H,3-8H2,1-2H3
InChIKeyHWTFIJIUKNBBAB-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
N'-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,4-diamine
CID 134276360
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
CID 135213114
N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 138467557
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
CID 142616241
N-[2-[2-[2-(4-fluorobutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 142616381
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484
1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155582675
ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155706892
N-[2-(2-butoxyethoxy)ethyl]-1,2,2,2-tetrafluoroethanamine
CID 155740875

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine?
The IUPAC name of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine (CID 157155085) is 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine.
What is the SMILES notation for 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine?
The canonical SMILES for 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine is CCC(F)(F)CNCCOCCOC.
What is the InChIKey of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine?
The InChIKey is HWTFIJIUKNBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-3-9(10,11)8-12-4-5-14-7-6-13-2/h12H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine?
2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 157155085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).