2,2-difluoro-1-(oxolan-3-yl)ethanamine

C6H11F2NO — CID 80604286

IUPAC2,2-difluoro-1-(oxolan-3-yl)ethanamine
SMILESNC(C(F)F)C1CCOC1
InChIInChI=1S/C6H11F2NO/c7-6(8)5(9)4-1-2-10-3-4/h4-6H,1-3,9H2
InChIKeyGENXRQKFDCBVLZ-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.62
Rot. Bonds2

About 2,2-difluoro-1-(oxolan-3-yl)ethanamine

2,2-difluoro-1-(oxolan-3-yl)ethanamine (PubChem CID 80604286) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(oxolan-3-yl)ethanamine
PubChem CID80604286
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2,2-difluoro-1-(oxolan-3-yl)ethanamine
SMILESNC(C(F)F)C1CCOC1
InChIInChI=1S/C6H11F2NO/c7-6(8)5(9)4-1-2-10-3-4/h4-6H,1-3,9H2
InChIKeyGENXRQKFDCBVLZ-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126844441
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CID 127264193
CID 127264193
CID 55282487
CID 55282487
CID 63897715
CID 63897715
CID 63898855
CID 63898855
CID 155624841
CID 155624841
CID 61490660
CID 61490660
CID 61490865
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CID 63562852
CID 63562852

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(oxolan-3-yl)ethanamine (CID 80604286) is 2,2-difluoro-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(oxolan-3-yl)ethanamine is NC(C(F)F)C1CCOC1.
What is the InChIKey of 2,2-difluoro-1-(oxolan-3-yl)ethanamine?
The InChIKey is GENXRQKFDCBVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)5(9)4-1-2-10-3-4/h4-6H,1-3,9H2.
What are the key properties of 2,2-difluoro-1-(oxolan-3-yl)ethanamine?
2,2-difluoro-1-(oxolan-3-yl)ethanamine has a molecular weight of 151.16 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 80604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).