1-fluoro-1-(oxan-3-yl)propan-2-amine

C8H16FNO — CID 105431662

IUPAC1-fluoro-1-(oxan-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCCOC1
InChIInChI=1S/C8H16FNO/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8H,2-5,10H2,1H3
InChIKeyWCSLXGLGBKKXDK-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds2

About 1-fluoro-1-(oxan-3-yl)propan-2-amine

1-fluoro-1-(oxan-3-yl)propan-2-amine (PubChem CID 105431662) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-fluoro-1-(oxan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-(oxan-3-yl)propan-2-amine
PubChem CID105431662
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-fluoro-1-(oxan-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCCOC1
InChIInChI=1S/C8H16FNO/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8H,2-5,10H2,1H3
InChIKeyWCSLXGLGBKKXDK-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-(Oxan-4-yl)butan-2-amine
CID 62386259
(2,6-Dimethyloxan-4-yl)methanamine
CID 81852973
1-(Oxan-4-yl)propan-2-amine
CID 21054632
1-(Oxan-3-yl)propan-1-amine
CID 65332455
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
5-Fluoro-2,4,6-trimethyloxan-3-amine
CID 59938457
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2,5-Dimethyl-6-(trifluoromethyl)oxan-3-amine
CID 129076842
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
1-(3-Fluoro-4-methyloxan-2-yl)ethanamine
CID 142537579
3-Fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
CID 155259230
2-Alumanyl-4-fluoro-5-propyloxan-3-amine
CID 163485497

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(oxan-3-yl)propan-2-amine?
The IUPAC name of 1-fluoro-1-(oxan-3-yl)propan-2-amine (CID 105431662) is 1-fluoro-1-(oxan-3-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-1-(oxan-3-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-1-(oxan-3-yl)propan-2-amine is CC(N)C(F)C1CCCOC1.
What is the InChIKey of 1-fluoro-1-(oxan-3-yl)propan-2-amine?
The InChIKey is WCSLXGLGBKKXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8H,2-5,10H2,1H3.
What are the key properties of 1-fluoro-1-(oxan-3-yl)propan-2-amine?
1-fluoro-1-(oxan-3-yl)propan-2-amine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(oxan-3-yl)propan-2-amine is sourced from PubChem (CID 105431662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).