2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane

C10H21F2NO — CID 168881561

IUPAC2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane
SMILESCC.COCC1(C(F)F)CCCN1C
InChIInChI=1S/C8H15F2NO.C2H6/c1-11-5-3-4-8(11,6-12-2)7(9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeySXHSOCBPMVYUKG-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.39
Rot. Bonds3

About 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane

2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane (PubChem CID 168881561) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane
PubChem CID168881561
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane
SMILESCC.COCC1(C(F)F)CCCN1C
InChIInChI=1S/C8H15F2NO.C2H6/c1-11-5-3-4-8(11,6-12-2)7(9)10;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeySXHSOCBPMVYUKG-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(methoxymethyl)-1-methylpyrrolidine
CID 118615709
2-(methoxymethyl)-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 176568360
(4aS)-4a-(methoxymethyl)-1,7a-dimethyl-2,3,4,5,6,7-hexahydrocyclopenta[b]pyridine
CID 177000265
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
2-(difluoromethyl)-1,2-dimethylpiperidine
CID 123383049
ethane;(2R,8S)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177010029
ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
CID 168881236
1,1-difluoropropane;ethane;methoxyethane;1-methylpyrrolidine
CID 177009391
2-(1-methoxyethyl)-1,2-dimethylpyrrolidine
CID 168881311

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane?
The IUPAC name of 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane (CID 168881561) is 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane.
What is the SMILES notation for 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane?
The canonical SMILES for 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane is CC.COCC1(C(F)F)CCCN1C.
What is the InChIKey of 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane?
The InChIKey is SXHSOCBPMVYUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C2H6/c1-11-5-3-4-8(11,6-12-2)7(9)10;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane?
2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane has a molecular weight of 209.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane is sourced from PubChem (CID 168881561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).