3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol

C8H16FNO — CID 178035116

IUPAC3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C(C)(C)F)C1
InChIInChI=1S/C8H16FNO/c1-7(2,9)8(11)4-5-10(3)6-8/h11H,4-6H2,1-3H3
InChIKeyWSTAJVQSFBAIGA-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol

3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol (PubChem CID 178035116) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol
PubChem CID178035116
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(C(C)(C)F)C1
InChIInChI=1S/C8H16FNO/c1-7(2,9)8(11)4-5-10(3)6-8/h11H,4-6H2,1-3H3
InChIKeyWSTAJVQSFBAIGA-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol (CID 178035116) is 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(C(C)(C)F)C1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol?
The InChIKey is WSTAJVQSFBAIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2,9)8(11)4-5-10(3)6-8/h11H,4-6H2,1-3H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol?
3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 178035116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).