5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine

C9H19F2NO — CID 82004327

IUPAC5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOCC(F)F
InChIInChI=1S/C9H19F2NO/c1-9(2,7-12)4-3-5-13-6-8(10)11/h8H,3-7,12H2,1-2H3
InChIKeyJZOQDVKKIGRTND-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.03
Rot. Bonds7

About 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine

5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine (PubChem CID 82004327) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine
PubChem CID82004327
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine
SMILESCC(C)(CN)CCCOCC(F)F
InChIInChI=1S/C9H19F2NO/c1-9(2,7-12)4-3-5-13-6-8(10)11/h8H,3-7,12H2,1-2H3
InChIKeyJZOQDVKKIGRTND-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine (CID 82004327) is 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine is CC(C)(CN)CCCOCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine?
The InChIKey is JZOQDVKKIGRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-9(2,7-12)4-3-5-13-6-8(10)11/h8H,3-7,12H2,1-2H3.
What are the key properties of 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine?
5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 82004327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).