3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine

C12H22FNO — CID 163258664

IUPAC3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine
SMILESCC(C)OC1CCCCC1N1CC(F)C1
InChIInChI=1S/C12H22FNO/c1-9(2)15-12-6-4-3-5-11(12)14-7-10(13)8-14/h9-12H,3-8H2,1-2H3
InChIKeyCBWIBGHFCKMLEG-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.38
Rot. Bonds3

About 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine

3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine (PubChem CID 163258664) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine
PubChem CID163258664
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine
SMILESCC(C)OC1CCCCC1N1CC(F)C1
InChIInChI=1S/C12H22FNO/c1-9(2)15-12-6-4-3-5-11(12)14-7-10(13)8-14/h9-12H,3-8H2,1-2H3
InChIKeyCBWIBGHFCKMLEG-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine?
The IUPAC name of 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine (CID 163258664) is 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine?
The canonical SMILES for 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine is CC(C)OC1CCCCC1N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine?
The InChIKey is CBWIBGHFCKMLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9(2)15-12-6-4-3-5-11(12)14-7-10(13)8-14/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine?
3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine has a molecular weight of 215.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-propan-2-yloxycyclohexyl)azetidine is sourced from PubChem (CID 163258664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).