3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine

C14H26FNO — CID 170254800

IUPAC3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
SMILESCC1(F)CN(C2CCC(OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H26FNO/c1-13(2,3)17-12-7-5-11(6-8-12)16-9-14(4,15)10-16/h11-12H,5-10H2,1-4H3
InChIKeyDKRUZZWEMIZWIX-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.16
Rot. Bonds2

About 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine

3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine (PubChem CID 170254800) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
PubChem CID170254800
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
SMILESCC1(F)CN(C2CCC(OC(C)(C)C)CC2)C1
InChIInChI=1S/C14H26FNO/c1-13(2,3)17-12-7-5-11(6-8-12)16-9-14(4,15)10-16/h11-12H,5-10H2,1-4H3
InChIKeyDKRUZZWEMIZWIX-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-1-(4-methoxycyclohexyl)azetidine
CID 130767198
3-Fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine
CID 163258664
3-Fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170255770
3,3-Difluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine
CID 170257592
3-Fluoro-1-(4-propan-2-yloxycyclohexyl)azetidine
CID 170669161
N,N-dimethyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 58365089
1-(4-Ethoxycyclohexyl)azetidine
CID 123809059
1-(4-Methoxycyclohexyl)azetidine
CID 133670285
N-tert-butyl-N-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 134411056
N-tert-butyl-4-ethoxy-N-methylcyclohexan-1-amine
CID 134415201
N-methyl-N-(2-methylpropyl)-4-propan-2-yloxycyclohexan-1-amine
CID 138728448
1-(4-Methoxycyclohexyl)-3-methylazetidine
CID 155331659

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The IUPAC name of 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine (CID 170254800) is 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine is CC1(F)CN(C2CCC(OC(C)(C)C)CC2)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
The InChIKey is DKRUZZWEMIZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-13(2,3)17-12-7-5-11(6-8-12)16-9-14(4,15)10-16/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine?
3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine has a molecular weight of 243.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]azetidine is sourced from PubChem (CID 170254800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).