3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol

C14H20FNO — CID 117347304

IUPAC3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(CN2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c15-14-10-12(4-3-9-17)5-6-13(14)11-16-7-1-2-8-16/h5-6,10,17H,1-4,7-9,11H2
InChIKeyYWFJTBCMIATUJD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.35
Rot. Bonds5

About 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol

3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol (PubChem CID 117347304) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
PubChem CID117347304
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(CN2CCCC2)c(F)c1
InChIInChI=1S/C14H20FNO/c15-14-10-12(4-3-9-17)5-6-13(14)11-16-7-1-2-8-16/h5-6,10,17H,1-4,7-9,11H2
InChIKeyYWFJTBCMIATUJD-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol (CID 117347304) is 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol is OCCCc1ccc(CN2CCCC2)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
The InChIKey is YWFJTBCMIATUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14-10-12(4-3-9-17)5-6-13(14)11-16-7-1-2-8-16/h5-6,10,17H,1-4,7-9,11H2.
What are the key properties of 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol?
3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117347304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).