3-(1,1-difluoroethyl)morpholine

C6H11F2NO — CID 83853727

IUPAC3-(1,1-difluoroethyl)morpholine
SMILESCC(F)(F)C1COCCN1
InChIInChI=1S/C6H11F2NO/c1-6(7,8)5-4-10-3-2-9-5/h5,9H,2-4H2,1H3
InChIKeyIUILFMGWOMMQSM-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.63
Rot. Bonds1

About 3-(1,1-difluoroethyl)morpholine

3-(1,1-difluoroethyl)morpholine (PubChem CID 83853727) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)morpholine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)morpholine
PubChem CID83853727
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3-(1,1-difluoroethyl)morpholine
SMILESCC(F)(F)C1COCCN1
InChIInChI=1S/C6H11F2NO/c1-6(7,8)5-4-10-3-2-9-5/h5,9H,2-4H2,1H3
InChIKeyIUILFMGWOMMQSM-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

3,5-Dimethylmorpholine
CID 8862
3-Methylmorpholine
CID 292103
5-Ethyl-2-methylmorpholine
CID 3613548
(3S)-3-methylmorpholine
CID 12012220
3-Ethylmorpholine
CID 14267782
(S)-3-Ethylmorpholine
CID 28064334
3-(2,2-Difluoroethyl)morpholine
CID 119030882
(3R,5S)-3,5-Dimethylmorpholine
CID 12638209
(R)-3-Methylmorpholine
CID 641498
N-(2,2,2-trifluoroethyl)oxan-3-amine
CID 63363393
3-(Fluoromethyl)morpholine hydrochloride
CID 22342647
3-Ethylmorpholine--hydrogen chloride (1/1)
CID 22342764

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)morpholine?
The IUPAC name of 3-(1,1-difluoroethyl)morpholine (CID 83853727) is 3-(1,1-difluoroethyl)morpholine.
What is the SMILES notation for 3-(1,1-difluoroethyl)morpholine?
The canonical SMILES for 3-(1,1-difluoroethyl)morpholine is CC(F)(F)C1COCCN1.
What is the InChIKey of 3-(1,1-difluoroethyl)morpholine?
The InChIKey is IUILFMGWOMMQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-6(7,8)5-4-10-3-2-9-5/h5,9H,2-4H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)morpholine?
3-(1,1-difluoroethyl)morpholine has a molecular weight of 151.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)morpholine is sourced from PubChem (CID 83853727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).