ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine

C9H21F2NO — CID 176920882

IUPACethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
SMILESCC.CCOCC(F)(F)CN(C)C
InChIInChI=1S/C7H15F2NO.C2H6/c1-4-11-6-7(8,9)5-10(2)3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyNUHHGDPPFODMBT-UHFFFAOYSA-N
MW197.27 g/mol
LogP2.25
Rot. Bonds5

About ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine

ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine (PubChem CID 176920882) has the molecular formula C9H21F2NO and a molecular weight of 197.27 g/mol. Its IUPAC name is ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
PubChem CID176920882
Molecular FormulaC9H21F2NO
Molecular Weight197.27 g/mol
Exact Mass197.16
IUPAC Nameethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine
SMILESCC.CCOCC(F)(F)CN(C)C
InChIInChI=1S/C7H15F2NO.C2H6/c1-4-11-6-7(8,9)5-10(2)3;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyNUHHGDPPFODMBT-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine (CID 176920882) is ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine is CC.CCOCC(F)(F)CN(C)C.
What is the InChIKey of ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
The InChIKey is NUHHGDPPFODMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO.C2H6/c1-4-11-6-7(8,9)5-10(2)3;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine?
ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine has a molecular weight of 197.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxy-2,2-difluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 176920882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).