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

C15H20FNO — CID 117376702

IUPAC1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(CN3CCCC3)c(F)c2)CC1
InChIInChI=1S/C15H20FNO/c16-14-9-12(10-15(18)5-6-15)3-4-13(14)11-17-7-1-2-8-17/h3-4,9,18H,1-2,5-8,10-11H2
InChIKeyYENBEZAONGWSIN-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.49
Rot. Bonds4

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

1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117376702) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117376702
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccc(CN3CCCC3)c(F)c2)CC1
InChIInChI=1S/C15H20FNO/c16-14-9-12(10-15(18)5-6-15)3-4-13(14)11-17-7-1-2-8-17/h3-4,9,18H,1-2,5-8,10-11H2
InChIKeyYENBEZAONGWSIN-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol (CID 117376702) is 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol is OC1(Cc2ccc(CN3CCCC3)c(F)c2)CC1.
What is the InChIKey of 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is YENBEZAONGWSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c16-14-9-12(10-15(18)5-6-15)3-4-13(14)11-17-7-1-2-8-17/h3-4,9,18H,1-2,5-8,10-11H2.
What are the key properties of 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol?
1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 249.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117376702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).