(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine

C16H30FNO — CID 129258293

IUPAC(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCC(C(C)(C)C)C[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C16H30FNO/c1-11-9-18(10-12(2)19-11)15-7-6-13(8-14(15)17)16(3,4)5/h11-15H,6-10H2,1-5H3/t11-,12+,13?,14-,15+/m0/s1
InChIKeyWCKFKGVLGHQWGK-FIBILERRSA-N
MW271.42 g/mol
LogP3.65
Rot. Bonds1

About (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine

(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine (PubChem CID 129258293) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine
PubChem CID129258293
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN([C@@H]2CCC(C(C)(C)C)C[C@@H]2F)C[C@H](C)O1
InChIInChI=1S/C16H30FNO/c1-11-9-18(10-12(2)19-11)15-7-6-13(8-14(15)17)16(3,4)5/h11-15H,6-10H2,1-5H3/t11-,12+,13?,14-,15+/m0/s1
InChIKeyWCKFKGVLGHQWGK-FIBILERRSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine (CID 129258293) is (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine is C[C@@H]1CN([C@@H]2CCC(C(C)(C)C)C[C@@H]2F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine?
The InChIKey is WCKFKGVLGHQWGK-FIBILERRSA-N. The full InChI is InChI=1S/C16H30FNO/c1-11-9-18(10-12(2)19-11)15-7-6-13(8-14(15)17)16(3,4)5/h11-15H,6-10H2,1-5H3/t11-,12+,13?,14-,15+/m0/s1.
What are the key properties of (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine has a molecular weight of 271.42 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 129258293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).