1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine

C11H21F2NO2 — CID 103149053

IUPAC1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine
SMILESNC(CCOCC(F)F)CCC1CCCO1
InChIInChI=1S/C11H21F2NO2/c12-11(13)8-15-7-5-9(14)3-4-10-2-1-6-16-10/h9-11H,1-8,14H2
InChIKeySPGZAIXJEVLWPB-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.94
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine

1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine (PubChem CID 103149053) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine
PubChem CID103149053
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine
SMILESNC(CCOCC(F)F)CCC1CCCO1
InChIInChI=1S/C11H21F2NO2/c12-11(13)8-15-7-5-9(14)3-4-10-2-1-6-16-10/h9-11H,1-8,14H2
InChIKeySPGZAIXJEVLWPB-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine (CID 103149053) is 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine is NC(CCOCC(F)F)CCC1CCCO1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine?
The InChIKey is SPGZAIXJEVLWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c12-11(13)8-15-7-5-9(14)3-4-10-2-1-6-16-10/h9-11H,1-8,14H2.
What are the key properties of 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine?
1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine has a molecular weight of 237.29 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-5-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 103149053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).