3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine

C8H16FNO — CID 166546255

IUPAC3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine
SMILESCOCC(C)N1CC(C)(F)C1
InChIInChI=1S/C8H16FNO/c1-7(4-11-3)10-5-8(2,9)6-10/h7H,4-6H2,1-3H3
InChIKeyYWWQQSCTRXRNAP-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

About 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine

3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine (PubChem CID 166546255) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine.

Molecular Properties

Compound Name3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine
PubChem CID166546255
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine
SMILESCOCC(C)N1CC(C)(F)C1
InChIInChI=1S/C8H16FNO/c1-7(4-11-3)10-5-8(2,9)6-10/h7H,4-6H2,1-3H3
InChIKeyYWWQQSCTRXRNAP-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine?
The IUPAC name of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine (CID 166546255) is 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine.
What is the SMILES notation for 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine?
The canonical SMILES for 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine is COCC(C)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine?
The InChIKey is YWWQQSCTRXRNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(4-11-3)10-5-8(2,9)6-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine?
3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(1-methoxypropan-2-yl)-3-methylazetidine is sourced from PubChem (CID 166546255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).