3-fluoro-1-(4-methylcyclohexyl)azetidine

C10H18FN — CID 131040227

IUPAC3-fluoro-1-(4-methylcyclohexyl)azetidine
SMILESCC1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C10H18FN/c1-8-2-4-10(5-3-8)12-6-9(11)7-12/h8-10H,2-7H2,1H3
InChIKeyNTDPFHYTQVAZQU-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

About 3-fluoro-1-(4-methylcyclohexyl)azetidine

3-fluoro-1-(4-methylcyclohexyl)azetidine (PubChem CID 131040227) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-1-(4-methylcyclohexyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(4-methylcyclohexyl)azetidine
PubChem CID131040227
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-1-(4-methylcyclohexyl)azetidine
SMILESCC1CCC(N2CC(F)C2)CC1
InChIInChI=1S/C10H18FN/c1-8-2-4-10(5-3-8)12-6-9(11)7-12/h8-10H,2-7H2,1H3
InChIKeyNTDPFHYTQVAZQU-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-fluoro-1-(4-methylcyclohexyl)azetidine?
The IUPAC name of 3-fluoro-1-(4-methylcyclohexyl)azetidine (CID 131040227) is 3-fluoro-1-(4-methylcyclohexyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(4-methylcyclohexyl)azetidine?
The canonical SMILES for 3-fluoro-1-(4-methylcyclohexyl)azetidine is CC1CCC(N2CC(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-(4-methylcyclohexyl)azetidine?
The InChIKey is NTDPFHYTQVAZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-2-4-10(5-3-8)12-6-9(11)7-12/h8-10H,2-7H2,1H3.
What are the key properties of 3-fluoro-1-(4-methylcyclohexyl)azetidine?
3-fluoro-1-(4-methylcyclohexyl)azetidine 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-fluoro-1-(4-methylcyclohexyl)azetidine is sourced from PubChem (CID 131040227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).