2-(4-fluorooxan-4-yl)propan-1-amine

C8H16FNO — CID 105431693

IUPAC2-(4-fluorooxan-4-yl)propan-1-amine
SMILESCC(CN)C1(F)CCOCC1
InChIInChI=1S/C8H16FNO/c1-7(6-10)8(9)2-4-11-5-3-8/h7H,2-6,10H2,1H3
InChIKeyGNCDDEYQHKLAHW-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds2

About 2-(4-fluorooxan-4-yl)propan-1-amine

2-(4-fluorooxan-4-yl)propan-1-amine (PubChem CID 105431693) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-(4-fluorooxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-fluorooxan-4-yl)propan-1-amine
PubChem CID105431693
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-(4-fluorooxan-4-yl)propan-1-amine
SMILESCC(CN)C1(F)CCOCC1
InChIInChI=1S/C8H16FNO/c1-7(6-10)8(9)2-4-11-5-3-8/h7H,2-6,10H2,1H3
InChIKeyGNCDDEYQHKLAHW-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

2-Methyl-2-(oxan-4-yl)propan-1-amine
CID 57429862
2-(Oxan-4-yl)propan-1-amine
CID 55290013
2-(2-Methyloxan-4-yl)ethan-1-amine
CID 64137442
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2-Methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505186
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
3,3,3-Trifluoro-2-(oxan-4-yl)propan-1-amine
CID 83686082
2-Fluoro-3-(oxan-4-yl)propan-1-amine
CID 84021214
[4-(Trifluoromethyl)oxan-3-yl]methanamine
CID 84022631
2-(4-Fluorotetrahydro-2H-pyran-4-yl)ethan-1-amine
CID 84731219
(4-Fluorooxan-3-yl)methanamine
CID 84762369

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorooxan-4-yl)propan-1-amine?
The IUPAC name of 2-(4-fluorooxan-4-yl)propan-1-amine (CID 105431693) is 2-(4-fluorooxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(4-fluorooxan-4-yl)propan-1-amine?
The canonical SMILES for 2-(4-fluorooxan-4-yl)propan-1-amine is CC(CN)C1(F)CCOCC1.
What is the InChIKey of 2-(4-fluorooxan-4-yl)propan-1-amine?
The InChIKey is GNCDDEYQHKLAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(6-10)8(9)2-4-11-5-3-8/h7H,2-6,10H2,1H3.
What are the key properties of 2-(4-fluorooxan-4-yl)propan-1-amine?
2-(4-fluorooxan-4-yl)propan-1-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 2-(4-fluorooxan-4-yl)propan-1-amine is sourced from PubChem (CID 105431693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).