trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

C11H17FN2O3 — CID 135063087

IUPACtrans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@]1(F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17FN2O3/c1-13(2)9(15)8-7-11(8,12)10(16)14-3-5-17-6-4-14/h8H,3-7H2,1-2H3/t8-,11+/m0/s1
InChIKeyUDBNTKMNIQSERD-GZMMTYOYSA-N
MW244.27 g/mol
LogP-0.34
Rot. Bonds2

About trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide

trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (PubChem CID 135063087) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
PubChem CID135063087
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Nametrans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@]1(F)C(=O)N1CCOCC1
InChIInChI=1S/C11H17FN2O3/c1-13(2)9(15)8-7-11(8,12)10(16)14-3-5-17-6-4-14/h8H,3-7H2,1-2H3/t8-,11+/m0/s1
InChIKeyUDBNTKMNIQSERD-GZMMTYOYSA-N
XLogP-0.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide (CID 135063087) is trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is CN(C)C(=O)[C@@H]1C[C@]1(F)C(=O)N1CCOCC1.
What is the InChIKey of trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is UDBNTKMNIQSERD-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-13(2)9(15)8-7-11(8,12)10(16)14-3-5-17-6-4-14/h8H,3-7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide?
trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 244.27 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-fluoro-N,N-dimethyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135063087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).