1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol

C8H16FNO — CID 103784633

IUPAC1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CCCF)C1
InChIInChI=1S/C8H16FNO/c1-8(11)3-6-10(7-8)5-2-4-9/h11H,2-7H2,1H3
InChIKeyLRKRLKJICYEBJD-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol

1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol (PubChem CID 103784633) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol
PubChem CID103784633
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CCCF)C1
InChIInChI=1S/C8H16FNO/c1-8(11)3-6-10(7-8)5-2-4-9/h11H,2-7H2,1H3
InChIKeyLRKRLKJICYEBJD-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol (CID 103784633) is 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol?
The InChIKey is LRKRLKJICYEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(11)3-6-10(7-8)5-2-4-9/h11H,2-7H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol?
1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103784633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).