(3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide

C12H22F2N2O2 — CID 164634725

IUPAC(3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide
SMILESCCN(CC)C(=O)C[C@@H](C(F)F)N1CCOCC1
InChIInChI=1S/C12H22F2N2O2/c1-3-15(4-2)11(17)9-10(12(13)14)16-5-7-18-8-6-16/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMETBLLNUQKWHFS-JTQLQIEISA-N
MW264.32 g/mol
LogP1.21
Rot. Bonds6

About (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide

(3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide (PubChem CID 164634725) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide
PubChem CID164634725
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name(3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide
SMILESCCN(CC)C(=O)C[C@@H](C(F)F)N1CCOCC1
InChIInChI=1S/C12H22F2N2O2/c1-3-15(4-2)11(17)9-10(12(13)14)16-5-7-18-8-6-16/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMETBLLNUQKWHFS-JTQLQIEISA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide?
The IUPAC name of (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide (CID 164634725) is (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide.
What is the SMILES notation for (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide?
The canonical SMILES for (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide is CCN(CC)C(=O)C[C@@H](C(F)F)N1CCOCC1.
What is the InChIKey of (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide?
The InChIKey is METBLLNUQKWHFS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-3-15(4-2)11(17)9-10(12(13)14)16-5-7-18-8-6-16/h10,12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide?
(3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide has a molecular weight of 264.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-4,4-difluoro-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 164634725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).