1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine

C11H22FNO — CID 177009440

IUPAC1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine
SMILESCCC(C)(CF)C1(CN(C)C)COC1
InChIInChI=1S/C11H22FNO/c1-5-10(2,6-12)11(7-13(3)4)8-14-9-11/h5-9H2,1-4H3
InChIKeyQYUFMCQHEWFFER-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.95
Rot. Bonds5

About 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine

1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine (PubChem CID 177009440) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine
PubChem CID177009440
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine
SMILESCCC(C)(CF)C1(CN(C)C)COC1
InChIInChI=1S/C11H22FNO/c1-5-10(2,6-12)11(7-13(3)4)8-14-9-11/h5-9H2,1-4H3
InChIKeyQYUFMCQHEWFFER-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine (CID 177009440) is 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine is CCC(C)(CF)C1(CN(C)C)COC1.
What is the InChIKey of 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine?
The InChIKey is QYUFMCQHEWFFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-5-10(2,6-12)11(7-13(3)4)8-14-9-11/h5-9H2,1-4H3.
What are the key properties of 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine?
1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine has a molecular weight of 203.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-fluoro-2-methylbutan-2-yl)oxetan-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 177009440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).