1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine

C12H23F2NO2 — CID 103148922

IUPAC1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine
SMILESNC(CCCC1CCCO1)CCOCC(F)F
InChIInChI=1S/C12H23F2NO2/c13-12(14)9-16-8-6-10(15)3-1-4-11-5-2-7-17-11/h10-12H,1-9,15H2
InChIKeyGFZSLOTYRYBYOA-UHFFFAOYSA-N
MW251.32 g/mol
LogP2.33
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine

1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine (PubChem CID 103148922) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine
PubChem CID103148922
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine
SMILESNC(CCCC1CCCO1)CCOCC(F)F
InChIInChI=1S/C12H23F2NO2/c13-12(14)9-16-8-6-10(15)3-1-4-11-5-2-7-17-11/h10-12H,1-9,15H2
InChIKeyGFZSLOTYRYBYOA-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 52.33
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

1,1,1-Trifluoro-3-(oxolan-2-yl)propan-2-amine
CID 66465194
1-[5-(2-Amino-1,1,3,3,3-pentafluoropropyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
CID 130427377
1-[5-(2-Amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
CID 130427378
8-(2,2,2-Trifluoroethoxy)octan-4-amine
CID 61491029
4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
CID 62603324
4,4,4-Trifluoro-1-(oxolan-2-yl)butan-2-amine
CID 62604262
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
5,5,5-Trifluoro-1-(oxolan-2-yl)pentan-2-amine
CID 64567828
1,1,1-Trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164238
1,1,1-Trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1,1,1-trifluoro-N-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65164287
4,4,4-Trifluoro-1-(oxolan-2-yl)butan-1-amine
CID 65331595

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine (CID 103148922) is 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine is NC(CCCC1CCCO1)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine?
The InChIKey is GFZSLOTYRYBYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c13-12(14)9-16-8-6-10(15)3-1-4-11-5-2-7-17-11/h10-12H,1-9,15H2.
What are the key properties of 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine?
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine has a molecular weight of 251.32 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 103148922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).