3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane

C8H17F2NO — CID 178114831

IUPAC3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane
SMILESCC.CN1CCC(O)(C(F)F)C1
InChIInChI=1S/C6H11F2NO.C2H6/c1-9-3-2-6(10,4-9)5(7)8;1-2/h5,10H,2-4H2,1H3;1-2H3
InChIKeyXWTFRKHDJKUNPR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.34
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane

3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane (PubChem CID 178114831) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane
PubChem CID178114831
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane
SMILESCC.CN1CCC(O)(C(F)F)C1
InChIInChI=1S/C6H11F2NO.C2H6/c1-9-3-2-6(10,4-9)5(7)8;1-2/h5,10H,2-4H2,1H3;1-2H3
InChIKeyXWTFRKHDJKUNPR-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-(pyrrolidin-1-yl)butan-2-ol
CID 79359808
1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 61978000
1-Cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 62976986
3-(Difluoromethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 80605832
3-Methyl-1-(2,2,2-trifluoro-1-iodoethyl)pyrrolidin-3-ol
CID 89182269
(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910943
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
3-Methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706292
3-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709648
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
3-(Fluoromethyl)-1-methylpyrrolidin-3-ol
CID 126759752

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane (CID 178114831) is 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane is CC.CN1CCC(O)(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane?
The InChIKey is XWTFRKHDJKUNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.C2H6/c1-9-3-2-6(10,4-9)5(7)8;1-2/h5,10H,2-4H2,1H3;1-2H3.
What are the key properties of 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane?
3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane has a molecular weight of 181.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrrolidin-3-ol;ethane is sourced from PubChem (CID 178114831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).