2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine

C12H22FNO — CID 175482472

IUPAC2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine
SMILESCC1CCCC(C)C1C1(F)CNCCO1
InChIInChI=1S/C12H22FNO/c1-9-4-3-5-10(2)11(9)12(13)8-14-6-7-15-12/h9-11,14H,3-8H2,1-2H3
InChIKeyPGWDKHUXJTXVCD-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.34
Rot. Bonds1

About 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine

2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine (PubChem CID 175482472) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine.

Molecular Properties

Compound Name2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine
PubChem CID175482472
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine
SMILESCC1CCCC(C)C1C1(F)CNCCO1
InChIInChI=1S/C12H22FNO/c1-9-4-3-5-10(2)11(9)12(13)8-14-6-7-15-12/h9-11,14H,3-8H2,1-2H3
InChIKeyPGWDKHUXJTXVCD-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine?
The IUPAC name of 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine (CID 175482472) is 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine.
What is the SMILES notation for 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine?
The canonical SMILES for 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine is CC1CCCC(C)C1C1(F)CNCCO1.
What is the InChIKey of 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine?
The InChIKey is PGWDKHUXJTXVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-9-4-3-5-10(2)11(9)12(13)8-14-6-7-15-12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine?
2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine has a molecular weight of 215.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylcyclohexyl)-2-fluoromorpholine is sourced from PubChem (CID 175482472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).