3-fluoro-1-(oxan-4-yl)azetidine

C8H14FNO — CID 130738541

IUPAC3-fluoro-1-(oxan-4-yl)azetidine
SMILESFC1CN(C2CCOCC2)C1
InChIInChI=1S/C8H14FNO/c9-7-5-10(6-7)8-1-3-11-4-2-8/h7-8H,1-6H2
InChIKeyXCNVEFHKDDHJDZ-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds1

About 3-fluoro-1-(oxan-4-yl)azetidine

3-fluoro-1-(oxan-4-yl)azetidine (PubChem CID 130738541) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-1-(oxan-4-yl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(oxan-4-yl)azetidine
PubChem CID130738541
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-1-(oxan-4-yl)azetidine
SMILESFC1CN(C2CCOCC2)C1
InChIInChI=1S/C8H14FNO/c9-7-5-10(6-7)8-1-3-11-4-2-8/h7-8H,1-6H2
InChIKeyXCNVEFHKDDHJDZ-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N,N-dimethyloxan-4-amine
CID 58035392
N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 115257837
2-Ethyl-1-(oxan-4-yl)azetidine
CID 67953715
3-Methyl-1-(oxan-4-yl)azetidine
CID 68044456
1-(Tetrahydro-2H-pyran-4-yl)azetidine
CID 69788888
2-Methyl-1-(oxan-4-yl)azetidine
CID 135291954
ethane;3-fluoro-N,N-dimethyloxan-4-amine
CID 144014676
Ethane;3-methyl-1-(oxan-4-yl)azetidine
CID 171530743
CID 179054508
CID 179054508

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(oxan-4-yl)azetidine?
The IUPAC name of 3-fluoro-1-(oxan-4-yl)azetidine (CID 130738541) is 3-fluoro-1-(oxan-4-yl)azetidine.
What is the SMILES notation for 3-fluoro-1-(oxan-4-yl)azetidine?
The canonical SMILES for 3-fluoro-1-(oxan-4-yl)azetidine is FC1CN(C2CCOCC2)C1.
What is the InChIKey of 3-fluoro-1-(oxan-4-yl)azetidine?
The InChIKey is XCNVEFHKDDHJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-5-10(6-7)8-1-3-11-4-2-8/h7-8H,1-6H2.
What are the key properties of 3-fluoro-1-(oxan-4-yl)azetidine?
3-fluoro-1-(oxan-4-yl)azetidine has a molecular weight of 159.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(oxan-4-yl)azetidine is sourced from PubChem (CID 130738541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).