3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine

C11H20FNO — CID 170061681

IUPAC3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine
SMILESCC1CCC(NC2(CF)COC2)CC1
InChIInChI=1S/C11H20FNO/c1-9-2-4-10(5-3-9)13-11(6-12)7-14-8-11/h9-10,13H,2-8H2,1H3
InChIKeyYQBIWQWWHADIOZ-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds3

About 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine

3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine (PubChem CID 170061681) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine
PubChem CID170061681
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine
SMILESCC1CCC(NC2(CF)COC2)CC1
InChIInChI=1S/C11H20FNO/c1-9-2-4-10(5-3-9)13-11(6-12)7-14-8-11/h9-10,13H,2-8H2,1H3
InChIKeyYQBIWQWWHADIOZ-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine?
The IUPAC name of 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine (CID 170061681) is 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine?
The canonical SMILES for 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine is CC1CCC(NC2(CF)COC2)CC1.
What is the InChIKey of 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine?
The InChIKey is YQBIWQWWHADIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9-2-4-10(5-3-9)13-11(6-12)7-14-8-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine?
3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-(4-methylcyclohexyl)oxetan-3-amine is sourced from PubChem (CID 170061681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).