(3S)-3-(2,2-difluoroethyl)morpholine

C6H11F2NO — CID 100628628

IUPAC(3S)-3-(2,2-difluoroethyl)morpholine
SMILESFC(F)C[C@H]1COCCN1
InChIInChI=1S/C6H11F2NO/c7-6(8)3-5-4-10-2-1-9-5/h5-6,9H,1-4H2/t5-/m0/s1
InChIKeySLBJBODOVHXGPG-YFKPBYRVSA-N
MW151.16 g/mol
LogP0.63
Rot. Bonds2

About (3S)-3-(2,2-difluoroethyl)morpholine

(3S)-3-(2,2-difluoroethyl)morpholine (PubChem CID 100628628) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (3S)-3-(2,2-difluoroethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(2,2-difluoroethyl)morpholine
PubChem CID100628628
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(3S)-3-(2,2-difluoroethyl)morpholine
SMILESFC(F)C[C@H]1COCCN1
InChIInChI=1S/C6H11F2NO/c7-6(8)3-5-4-10-2-1-9-5/h5-6,9H,1-4H2/t5-/m0/s1
InChIKeySLBJBODOVHXGPG-YFKPBYRVSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-difluoroethyl)morpholine?
The IUPAC name of (3S)-3-(2,2-difluoroethyl)morpholine (CID 100628628) is (3S)-3-(2,2-difluoroethyl)morpholine.
What is the SMILES notation for (3S)-3-(2,2-difluoroethyl)morpholine?
The canonical SMILES for (3S)-3-(2,2-difluoroethyl)morpholine is FC(F)C[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(2,2-difluoroethyl)morpholine?
The InChIKey is SLBJBODOVHXGPG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO/c7-6(8)3-5-4-10-2-1-9-5/h5-6,9H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(2,2-difluoroethyl)morpholine?
(3S)-3-(2,2-difluoroethyl)morpholine has a molecular weight of 151.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-difluoroethyl)morpholine is sourced from PubChem (CID 100628628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).