3-fluoro-3-(oxan-3-yl)propan-1-amine

C8H16FNO — CID 105431673

IUPAC3-fluoro-3-(oxan-3-yl)propan-1-amine
SMILESNCCC(F)C1CCCOC1
InChIInChI=1S/C8H16FNO/c9-8(3-4-10)7-2-1-5-11-6-7/h7-8H,1-6,10H2
InChIKeyKZJNJHQFSYYETD-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds3

About 3-fluoro-3-(oxan-3-yl)propan-1-amine

3-fluoro-3-(oxan-3-yl)propan-1-amine (PubChem CID 105431673) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-3-yl)propan-1-amine
PubChem CID105431673
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3-(oxan-3-yl)propan-1-amine
SMILESNCCC(F)C1CCCOC1
InChIInChI=1S/C8H16FNO/c9-8(3-4-10)7-2-1-5-11-6-7/h7-8H,1-6,10H2
InChIKeyKZJNJHQFSYYETD-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Oxan-4-yl)propan-1-amine
CID 22272945
4-(Oxan-4-yl)butan-2-amine
CID 62386259
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
1-(Oxan-3-yl)propan-1-amine
CID 65332455
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 62505704
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
4,4,4-Trifluoro-1-(oxan-4-yl)butan-1-amine
CID 65329702
4,4,4-Trifluoro-1-(oxan-3-yl)butan-1-amine
CID 65331796
5,5,5-Trifluoro-1-(oxan-4-yl)pentan-2-amine
CID 79953746

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-3-yl)propan-1-amine?
The IUPAC name of 3-fluoro-3-(oxan-3-yl)propan-1-amine (CID 105431673) is 3-fluoro-3-(oxan-3-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-3-(oxan-3-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-3-(oxan-3-yl)propan-1-amine is NCCC(F)C1CCCOC1.
What is the InChIKey of 3-fluoro-3-(oxan-3-yl)propan-1-amine?
The InChIKey is KZJNJHQFSYYETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-8(3-4-10)7-2-1-5-11-6-7/h7-8H,1-6,10H2.
What are the key properties of 3-fluoro-3-(oxan-3-yl)propan-1-amine?
3-fluoro-3-(oxan-3-yl)propan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-3-yl)propan-1-amine is sourced from PubChem (CID 105431673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).