3-cyclohexyl-3-fluoro-1-methylazetidine

C10H18FN — CID 66596076

IUPAC3-cyclohexyl-3-fluoro-1-methylazetidine
SMILESCN1CC(F)(C2CCCCC2)C1
InChIInChI=1S/C10H18FN/c1-12-7-10(11,8-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyMMNZFKAUZBNPBP-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

About 3-cyclohexyl-3-fluoro-1-methylazetidine

3-cyclohexyl-3-fluoro-1-methylazetidine (PubChem CID 66596076) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-cyclohexyl-3-fluoro-1-methylazetidine.

Molecular Properties

Compound Name3-cyclohexyl-3-fluoro-1-methylazetidine
PubChem CID66596076
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-cyclohexyl-3-fluoro-1-methylazetidine
SMILESCN1CC(F)(C2CCCCC2)C1
InChIInChI=1S/C10H18FN/c1-12-7-10(11,8-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyMMNZFKAUZBNPBP-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-fluoro-1-methylazetidine?
The IUPAC name of 3-cyclohexyl-3-fluoro-1-methylazetidine (CID 66596076) is 3-cyclohexyl-3-fluoro-1-methylazetidine.
What is the SMILES notation for 3-cyclohexyl-3-fluoro-1-methylazetidine?
The canonical SMILES for 3-cyclohexyl-3-fluoro-1-methylazetidine is CN1CC(F)(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-3-fluoro-1-methylazetidine?
The InChIKey is MMNZFKAUZBNPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-12-7-10(11,8-12)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-3-fluoro-1-methylazetidine?
3-cyclohexyl-3-fluoro-1-methylazetidine has a molecular weight of 171.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-fluoro-1-methylazetidine is sourced from PubChem (CID 66596076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).