3-(3,3-difluorooxan-4-yl)propan-1-amine

C8H15F2NO — CID 105437931

IUPAC3-(3,3-difluorooxan-4-yl)propan-1-amine
SMILESNCCCC1CCOCC1(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)6-12-5-3-7(8)2-1-4-11/h7H,1-6,11H2
InChIKeyGXXNBSYLIJCXJQ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.40
Rot. Bonds3

About 3-(3,3-difluorooxan-4-yl)propan-1-amine

3-(3,3-difluorooxan-4-yl)propan-1-amine (PubChem CID 105437931) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(3,3-difluorooxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3-difluorooxan-4-yl)propan-1-amine
PubChem CID105437931
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(3,3-difluorooxan-4-yl)propan-1-amine
SMILESNCCCC1CCOCC1(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)6-12-5-3-7(8)2-1-4-11/h7H,1-6,11H2
InChIKeyGXXNBSYLIJCXJQ-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-(Oxan-3-yl)ethan-1-amine
CID 19101440
3-(Oxan-4-yl)propan-1-amine
CID 22272945
2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
(2,2-Difluoro-6-oxaspiro(2.5)octan-1-yl)methanamine hydrochloride
CID 137965842
(2S)-2-fluoro-3-(oxan-4-yl)propan-1-amine
CID 129375609
(2R)-2-fluoro-3-(oxan-4-yl)propan-1-amine
CID 129375610
2,2-Difluoro-2-(tetrahydro-2H-pyran-4-yl)ethan-1-amine
CID 57429865
(4,4-Difluorooxan-3-yl)methanamine
CID 84763241
4-[3-(4,4,4-Trifluorobutoxy)propyl]piperidine
CID 143045251
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine
CID 170775071
[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methanamine;hydrochloride
CID 175812793
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62505373

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorooxan-4-yl)propan-1-amine?
The IUPAC name of 3-(3,3-difluorooxan-4-yl)propan-1-amine (CID 105437931) is 3-(3,3-difluorooxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(3,3-difluorooxan-4-yl)propan-1-amine?
The canonical SMILES for 3-(3,3-difluorooxan-4-yl)propan-1-amine is NCCCC1CCOCC1(F)F.
What is the InChIKey of 3-(3,3-difluorooxan-4-yl)propan-1-amine?
The InChIKey is GXXNBSYLIJCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)6-12-5-3-7(8)2-1-4-11/h7H,1-6,11H2.
What are the key properties of 3-(3,3-difluorooxan-4-yl)propan-1-amine?
3-(3,3-difluorooxan-4-yl)propan-1-amine has a molecular weight of 179.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorooxan-4-yl)propan-1-amine is sourced from PubChem (CID 105437931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).