1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine

C10H18FNO — CID 126989688

IUPAC1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine
SMILESCC1CC(N2CC(F)C2)CC(C)O1
InChIInChI=1S/C10H18FNO/c1-7-3-10(4-8(2)13-7)12-5-9(11)6-12/h7-10H,3-6H2,1-2H3
InChIKeyKGPLSURBBILYJG-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.60
Rot. Bonds1

About 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine

1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine (PubChem CID 126989688) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine
PubChem CID126989688
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine
SMILESCC1CC(N2CC(F)C2)CC(C)O1
InChIInChI=1S/C10H18FNO/c1-7-3-10(4-8(2)13-7)12-5-9(11)6-12/h7-10H,3-6H2,1-2H3
InChIKeyKGPLSURBBILYJG-UHFFFAOYSA-N
XLogP1.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,N,6-trimethyloxan-4-amine
CID 144042807
3-Fluoro-1-(4-propan-2-yloxycyclohexyl)azetidine
CID 170669161
N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine
CID 130666717
(2R,4R)-N,N,2-trimethyloxan-4-amine
CID 10441808
N-methyl-N-[2-(oxan-2-yl)ethyl]propan-2-amine
CID 57979615
N,N,2,6-tetramethyloxan-4-amine
CID 58035363
N,2-dimethyl-N-propyloxan-4-amine
CID 67819174
N,N,2-trimethyloxan-4-amine
CID 85144598
(4R)-N,N,2-trimethyloxan-4-amine
CID 89038533
(2R)-N,N,2-trimethyloxan-4-amine
CID 89038562
(2S,6S)-N,N,2,6-tetramethyloxan-4-amine
CID 132107654
2-Methyl-1-(oxan-4-yl)azetidine
CID 135291954

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine?
The IUPAC name of 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine (CID 126989688) is 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine.
What is the SMILES notation for 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine?
The canonical SMILES for 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine is CC1CC(N2CC(F)C2)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine?
The InChIKey is KGPLSURBBILYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7-3-10(4-8(2)13-7)12-5-9(11)6-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine?
1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine has a molecular weight of 187.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyloxan-4-yl)-3-fluoroazetidine is sourced from PubChem (CID 126989688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).