1,1-difluoro-1-(oxan-3-yl)propan-2-amine

C8H15F2NO — CID 105437927

IUPAC1,1-difluoro-1-(oxan-3-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCCOC1
InChIInChI=1S/C8H15F2NO/c1-6(11)8(9,10)7-3-2-4-12-5-7/h6-7H,2-5,11H2,1H3
InChIKeyBKWRXYQFHWSYAL-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.40
Rot. Bonds2

About 1,1-difluoro-1-(oxan-3-yl)propan-2-amine

1,1-difluoro-1-(oxan-3-yl)propan-2-amine (PubChem CID 105437927) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1,1-difluoro-1-(oxan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(oxan-3-yl)propan-2-amine
PubChem CID105437927
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1,1-difluoro-1-(oxan-3-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCCOC1
InChIInChI=1S/C8H15F2NO/c1-6(11)8(9,10)7-3-2-4-12-5-7/h6-7H,2-5,11H2,1H3
InChIKeyBKWRXYQFHWSYAL-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-1,1-difluoropropan-2-amine
CID 105432155
2-(oxan-3-yl)propan-2-amine
CID 82417868
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
3-[1-fluoro-1-(oxan-3-yl)ethyl]aniline
CID 115033997
3-(1-chloro-2-methylpropan-2-yl)oxane
CID 165474775
1,1-difluoro-1-(thiolan-3-yl)propan-2-amine
CID 105439599
1-(oxan-3-ylsulfanyl)propan-2-amine
CID 107134973
1-(oxan-3-yl)propan-2-amine
CID 63737520
1-amino-3,3-dimethyl-2-(oxan-3-yl)butan-2-ol
CID 107135690
2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
bis(oxan-3-yl)methanamine
CID 107136437

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(oxan-3-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(oxan-3-yl)propan-2-amine (CID 105437927) is 1,1-difluoro-1-(oxan-3-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(oxan-3-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(oxan-3-yl)propan-2-amine is CC(N)C(F)(F)C1CCCOC1.
What is the InChIKey of 1,1-difluoro-1-(oxan-3-yl)propan-2-amine?
The InChIKey is BKWRXYQFHWSYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(11)8(9,10)7-3-2-4-12-5-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 1,1-difluoro-1-(oxan-3-yl)propan-2-amine?
1,1-difluoro-1-(oxan-3-yl)propan-2-amine has a molecular weight of 179.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(oxan-3-yl)propan-2-amine is sourced from PubChem (CID 105437927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).