3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine

C8H15F2NO — CID 105437929

IUPAC3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine
SMILESCNCCC(F)(F)C1CCOC1
InChIInChI=1S/C8H15F2NO/c1-11-4-3-8(9,10)7-2-5-12-6-7/h7,11H,2-6H2,1H3
InChIKeyXMFRNVFFELDRGB-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.27
Rot. Bonds4

About 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine

3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine (PubChem CID 105437929) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine
PubChem CID105437929
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine
SMILESCNCCC(F)(F)C1CCOC1
InChIInChI=1S/C8H15F2NO/c1-11-4-3-8(9,10)7-2-5-12-6-7/h7,11H,2-6H2,1H3
InChIKeyXMFRNVFFELDRGB-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine (CID 105437929) is 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine is CNCCC(F)(F)C1CCOC1.
What is the InChIKey of 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine?
The InChIKey is XMFRNVFFELDRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-11-4-3-8(9,10)7-2-5-12-6-7/h7,11H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine?
3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-3-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 105437929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).