1-fluoro-3-pyrrolidin-3-ylpropan-2-ol

C7H14FNO — CID 131006720

IUPAC1-fluoro-3-pyrrolidin-3-ylpropan-2-ol
SMILESOC(CF)CC1CCNC1
InChIInChI=1S/C7H14FNO/c8-4-7(10)3-6-1-2-9-5-6/h6-7,9-10H,1-5H2
InChIKeyAXEIRMYPEZTJPZ-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.32
Rot. Bonds3

About 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol

1-fluoro-3-pyrrolidin-3-ylpropan-2-ol (PubChem CID 131006720) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-pyrrolidin-3-ylpropan-2-ol
PubChem CID131006720
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name1-fluoro-3-pyrrolidin-3-ylpropan-2-ol
SMILESOC(CF)CC1CCNC1
InChIInChI=1S/C7H14FNO/c8-4-7(10)3-6-1-2-9-5-6/h6-7,9-10H,1-5H2
InChIKeyAXEIRMYPEZTJPZ-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol?
The IUPAC name of 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol (CID 131006720) is 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol?
The canonical SMILES for 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol is OC(CF)CC1CCNC1.
What is the InChIKey of 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol?
The InChIKey is AXEIRMYPEZTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-4-7(10)3-6-1-2-9-5-6/h6-7,9-10H,1-5H2.
What are the key properties of 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol?
1-fluoro-3-pyrrolidin-3-ylpropan-2-ol has a molecular weight of 147.19 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-pyrrolidin-3-ylpropan-2-ol is sourced from PubChem (CID 131006720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).