2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine

C27H59F2N3O2 — CID 158371122

IUPAC2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine
SMILESCC(C)(F)F.CC1CCC1.CN1CCCCC1.CN1CCOCC1.COC.C[C@H]1CCCN1C
InChIInChI=1S/2C6H13N.C5H11NO.C5H10.C3H6F2.C2H6O/c1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-3-2-4-5;1-3(2,4)5;1-3-2/h6H,3-5H2,1-2H3;2-6H2,1H3;2-5H2,1H3;5H,2-4H2,1H3;1-2H3;1-2H3/t6-;;;;;/m0...../s1
InChIKeyGUPWKTSXBGZRPL-WVSASELKSA-N
MW495.78 g/mol
LogP5.88
Rot. Bonds

About 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine

2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine (PubChem CID 158371122) has the molecular formula C27H59F2N3O2 and a molecular weight of 495.78 g/mol. Its IUPAC name is 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine.

Molecular Properties

Compound Name2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine
PubChem CID158371122
Molecular FormulaC27H59F2N3O2
Molecular Weight495.78 g/mol
Exact Mass495.46
IUPAC Name2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine
SMILESCC(C)(F)F.CC1CCC1.CN1CCCCC1.CN1CCOCC1.COC.C[C@H]1CCCN1C
InChIInChI=1S/2C6H13N.C5H11NO.C5H10.C3H6F2.C2H6O/c1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-3-2-4-5;1-3(2,4)5;1-3-2/h6H,3-5H2,1-2H3;2-6H2,1H3;2-5H2,1H3;5H,2-4H2,1H3;1-2H3;1-2H3/t6-;;;;;/m0...../s1
InChIKeyGUPWKTSXBGZRPL-WVSASELKSA-N
XLogP5.88
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.78
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine with MolForge

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Related Compounds

4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine;4,4-difluoro-3-methyl-1-propan-2-ylpiperidine;ethane
CID 145332669
4,5-Di(propan-2-yl)-2-[2-[2-(2,2,2-trifluoroethyl)morpholin-4-yl]propyl]morpholine
CID 146614566
4,4-Difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
CID 177030560

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine?
The IUPAC name of 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine (CID 158371122) is 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine.
What is the SMILES notation for 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine?
The canonical SMILES for 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine is CC(C)(F)F.CC1CCC1.CN1CCCCC1.CN1CCOCC1.COC.C[C@H]1CCCN1C.
What is the InChIKey of 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine?
The InChIKey is GUPWKTSXBGZRPL-WVSASELKSA-N. The full InChI is InChI=1S/2C6H13N.C5H11NO.C5H10.C3H6F2.C2H6O/c1-6-4-3-5-7(6)2;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-5-3-2-4-5;1-3(2,4)5;1-3-2/h6H,3-5H2,1-2H3;2-6H2,1H3;2-5H2,1H3;5H,2-4H2,1H3;1-2H3;1-2H3/t6-;;;;;/m0...../s1.
What are the key properties of 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine?
2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine has a molecular weight of 495.78 g/mol, XLogP of 5.88, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropane;(2S)-1,2-dimethylpyrrolidine;methoxymethane;methylcyclobutane;4-methylmorpholine;1-methylpiperidine is sourced from PubChem (CID 158371122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).