cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile

C11H17FN2O — CID 46894283

IUPACcis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#C[C@@]1(N2CCOCC2)CCCC[C@@H]1F
InChIInChI=1S/C11H17FN2O/c12-10-3-1-2-4-11(10,9-13)14-5-7-15-8-6-14/h10H,1-8H2/t10-,11-/m0/s1
InChIKeyCWWYRMRIWVRALO-QWRGUYRKSA-N
MW212.27 g/mol
LogP1.49
Rot. Bonds1

About cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile

cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile (PubChem CID 46894283) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
PubChem CID46894283
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Namecis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#C[C@@]1(N2CCOCC2)CCCC[C@@H]1F
InChIInChI=1S/C11H17FN2O/c12-10-3-1-2-4-11(10,9-13)14-5-7-15-8-6-14/h10H,1-8H2/t10-,11-/m0/s1
InChIKeyCWWYRMRIWVRALO-QWRGUYRKSA-N
XLogP1.49
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile (CID 46894283) is cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile is N#C[C@@]1(N2CCOCC2)CCCC[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is CWWYRMRIWVRALO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H17FN2O/c12-10-3-1-2-4-11(10,9-13)14-5-7-15-8-6-14/h10H,1-8H2/t10-,11-/m0/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile?
cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 212.27 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 46894283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).