1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol

C7H13F2NO — CID 103728389

IUPAC1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-7(11)2-3-10(5-7)4-6(8)9/h6,11H,2-5H2,1H3
InChIKeySQEBEWMMIDQFCM-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol

1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol (PubChem CID 103728389) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol
PubChem CID103728389
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-7(11)2-3-10(5-7)4-6(8)9/h6,11H,2-5H2,1H3
InChIKeySQEBEWMMIDQFCM-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol (CID 103728389) is 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC(F)F)C1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol?
The InChIKey is SQEBEWMMIDQFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-7(11)2-3-10(5-7)4-6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol?
1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).