1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol

C8H16FNO — CID 105431690

IUPAC1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCC(O)C(F)C1CCN(C)C1
InChIInChI=1S/C8H16FNO/c1-6(11)8(9)7-3-4-10(2)5-7/h6-8,11H,3-5H2,1-2H3
InChIKeyKPBBSUNONZNYLB-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds2

About 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol

1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol (PubChem CID 105431690) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
PubChem CID105431690
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol
SMILESCC(O)C(F)C1CCN(C)C1
InChIInChI=1S/C8H16FNO/c1-6(11)8(9)7-3-4-10(2)5-7/h6-8,11H,3-5H2,1-2H3
InChIKeyKPBBSUNONZNYLB-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol (CID 105431690) is 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol is CC(O)C(F)C1CCN(C)C1.
What is the InChIKey of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is KPBBSUNONZNYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(11)8(9)7-3-4-10(2)5-7/h6-8,11H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol?
1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1-methylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 105431690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).