4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol

C18H26FNO3 — CID 154742410

IUPAC4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol
SMILESOC(CN1CCCC1c1cccc(F)c1)CC1(O)CCOCC1
InChIInChI=1S/C18H26FNO3/c19-15-4-1-3-14(11-15)17-5-2-8-20(17)13-16(21)12-18(22)6-9-23-10-7-18/h1,3-4,11,16-17,21-22H,2,5-10,12-13H2
InChIKeyDLJFLVIGOAUPNF-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.26
Rot. Bonds5

About 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol

4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol (PubChem CID 154742410) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol
PubChem CID154742410
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Name4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol
SMILESOC(CN1CCCC1c1cccc(F)c1)CC1(O)CCOCC1
InChIInChI=1S/C18H26FNO3/c19-15-4-1-3-14(11-15)17-5-2-8-20(17)13-16(21)12-18(22)6-9-23-10-7-18/h1,3-4,11,16-17,21-22H,2,5-10,12-13H2
InChIKeyDLJFLVIGOAUPNF-UHFFFAOYSA-N
XLogP2.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol?
The IUPAC name of 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol (CID 154742410) is 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol.
What is the SMILES notation for 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol?
The canonical SMILES for 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol is OC(CN1CCCC1c1cccc(F)c1)CC1(O)CCOCC1.
What is the InChIKey of 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol?
The InChIKey is DLJFLVIGOAUPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c19-15-4-1-3-14(11-15)17-5-2-8-20(17)13-16(21)12-18(22)6-9-23-10-7-18/h1,3-4,11,16-17,21-22H,2,5-10,12-13H2.
What are the key properties of 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol?
4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol has a molecular weight of 323.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropyl]oxan-4-ol is sourced from PubChem (CID 154742410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).