4,4-difluoro-3-methylpyrrolidin-3-ol;ethane

C7H15F2NO — CID 166167287

IUPAC4,4-difluoro-3-methylpyrrolidin-3-ol;ethane
SMILESCC.CC1(O)CNCC1(F)F
InChIInChI=1S/C5H9F2NO.C2H6/c1-4(9)2-8-3-5(4,6)7;1-2/h8-9H,2-3H2,1H3;1-2H3
InChIKeyOWGJBNCOBXNZAO-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.00
Rot. Bonds

About 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane

4,4-difluoro-3-methylpyrrolidin-3-ol;ethane (PubChem CID 166167287) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane.

Molecular Properties

Compound Name4,4-difluoro-3-methylpyrrolidin-3-ol;ethane
PubChem CID166167287
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name4,4-difluoro-3-methylpyrrolidin-3-ol;ethane
SMILESCC.CC1(O)CNCC1(F)F
InChIInChI=1S/C5H9F2NO.C2H6/c1-4(9)2-8-3-5(4,6)7;1-2/h8-9H,2-3H2,1H3;1-2H3
InChIKeyOWGJBNCOBXNZAO-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane?
The IUPAC name of 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane (CID 166167287) is 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane.
What is the SMILES notation for 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane?
The canonical SMILES for 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane is CC.CC1(O)CNCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane?
The InChIKey is OWGJBNCOBXNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO.C2H6/c1-4(9)2-8-3-5(4,6)7;1-2/h8-9H,2-3H2,1H3;1-2H3.
What are the key properties of 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane?
4,4-difluoro-3-methylpyrrolidin-3-ol;ethane has a molecular weight of 167.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpyrrolidin-3-ol;ethane is sourced from PubChem (CID 166167287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).