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

C8H16FNO — CID 105431682

IUPAC2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
SMILESCN1CCCC1CC(F)CO
InChIInChI=1S/C8H16FNO/c1-10-4-2-3-8(10)5-7(9)6-11/h7-8,11H,2-6H2,1H3
InChIKeyLWDNQSMWVMHVCT-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

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

2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol (PubChem CID 105431682) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
PubChem CID105431682
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
SMILESCN1CCCC1CC(F)CO
InChIInChI=1S/C8H16FNO/c1-10-4-2-3-8(10)5-7(9)6-11/h7-8,11H,2-6H2,1H3
InChIKeyLWDNQSMWVMHVCT-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 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol (CID 105431682) is 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol is CN1CCCC1CC(F)CO.
What is the InChIKey of 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is LWDNQSMWVMHVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-10-4-2-3-8(10)5-7(9)6-11/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol?
2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-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 2-fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 105431682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).