1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol

C10H20FNO — CID 171837375

IUPAC1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CN1CCC(F)C1
InChIInChI=1S/C10H20FNO/c1-8(2)5-10(13)7-12-4-3-9(11)6-12/h8-10,13H,3-7H2,1-2H3
InChIKeyJKLVENWBQRONLR-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds4

About 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol

1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol (PubChem CID 171837375) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol
PubChem CID171837375
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CN1CCC(F)C1
InChIInChI=1S/C10H20FNO/c1-8(2)5-10(13)7-12-4-3-9(11)6-12/h8-10,13H,3-7H2,1-2H3
InChIKeyJKLVENWBQRONLR-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol (CID 171837375) is 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol is CC(C)CC(O)CN1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol?
The InChIKey is JKLVENWBQRONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8(2)5-10(13)7-12-4-3-9(11)6-12/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol?
1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-4-methylpentan-2-ol is sourced from PubChem (CID 171837375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).