ethane;1-ethoxy-1,1-difluoropentan-3-amine

C9H21F2NO — CID 170584924

IUPACethane;1-ethoxy-1,1-difluoropentan-3-amine
SMILESCC.CCOC(F)(F)CC(N)CC
InChIInChI=1S/C7H15F2NO.C2H6/c1-3-6(10)5-7(8,9)11-4-2;1-2/h6H,3-5,10H2,1-2H3;1-2H3
InChIKeyGGXVRVORXODQQF-UHFFFAOYSA-N
MW197.27 g/mol
LogP2.77
Rot. Bonds5

About ethane;1-ethoxy-1,1-difluoropentan-3-amine

ethane;1-ethoxy-1,1-difluoropentan-3-amine (PubChem CID 170584924) has the molecular formula C9H21F2NO and a molecular weight of 197.27 g/mol. Its IUPAC name is ethane;1-ethoxy-1,1-difluoropentan-3-amine.

Molecular Properties

Compound Nameethane;1-ethoxy-1,1-difluoropentan-3-amine
PubChem CID170584924
Molecular FormulaC9H21F2NO
Molecular Weight197.27 g/mol
Exact Mass197.16
IUPAC Nameethane;1-ethoxy-1,1-difluoropentan-3-amine
SMILESCC.CCOC(F)(F)CC(N)CC
InChIInChI=1S/C7H15F2NO.C2H6/c1-3-6(10)5-7(8,9)11-4-2;1-2/h6H,3-5,10H2,1-2H3;1-2H3
InChIKeyGGXVRVORXODQQF-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-1,1-difluoropentan-3-amine?
The IUPAC name of ethane;1-ethoxy-1,1-difluoropentan-3-amine (CID 170584924) is ethane;1-ethoxy-1,1-difluoropentan-3-amine.
What is the SMILES notation for ethane;1-ethoxy-1,1-difluoropentan-3-amine?
The canonical SMILES for ethane;1-ethoxy-1,1-difluoropentan-3-amine is CC.CCOC(F)(F)CC(N)CC.
What is the InChIKey of ethane;1-ethoxy-1,1-difluoropentan-3-amine?
The InChIKey is GGXVRVORXODQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO.C2H6/c1-3-6(10)5-7(8,9)11-4-2;1-2/h6H,3-5,10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethoxy-1,1-difluoropentan-3-amine?
ethane;1-ethoxy-1,1-difluoropentan-3-amine has a molecular weight of 197.27 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-1,1-difluoropentan-3-amine is sourced from PubChem (CID 170584924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).