(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine

C12H18FNO — CID 141086244

IUPAC(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2=C(F)CCC=C2)C[C@H](C)O1
InChIInChI=1S/C12H18FNO/c1-9-7-14(8-10(2)15-9)12-6-4-3-5-11(12)13/h4,6,9-10H,3,5,7-8H2,1-2H3/t9-,10+
InChIKeyHZGZYZIGOWKWCN-AOOOYVTPSA-N
MW211.28 g/mol
LogP2.63
Rot. Bonds1

About (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine (PubChem CID 141086244) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
PubChem CID141086244
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C2=C(F)CCC=C2)C[C@H](C)O1
InChIInChI=1S/C12H18FNO/c1-9-7-14(8-10(2)15-9)12-6-4-3-5-11(12)13/h4,6,9-10H,3,5,7-8H2,1-2H3/t9-,10+
InChIKeyHZGZYZIGOWKWCN-AOOOYVTPSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine (CID 141086244) is (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(C2=C(F)CCC=C2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine?
The InChIKey is HZGZYZIGOWKWCN-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9-7-14(8-10(2)15-9)12-6-4-3-5-11(12)13/h4,6,9-10H,3,5,7-8H2,1-2H3/t9-,10+.
What are the key properties of (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine has a molecular weight of 211.28 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2-fluorocyclohexa-1,5-dien-1-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 141086244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).