1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol

C13H16FNO — CID 117316011

IUPAC1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol
SMILESOC1(c2cc(F)ccc2N2CCCC2)CC1
InChIInChI=1S/C13H16FNO/c14-10-3-4-12(15-7-1-2-8-15)11(9-10)13(16)5-6-13/h3-4,9,16H,1-2,5-8H2
InChIKeyHAXPRTZYARPEAX-UHFFFAOYSA-N
MW221.27 g/mol
LogP2.41
Rot. Bonds2

About 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol

1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol (PubChem CID 117316011) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol
PubChem CID117316011
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol
SMILESOC1(c2cc(F)ccc2N2CCCC2)CC1
InChIInChI=1S/C13H16FNO/c14-10-3-4-12(15-7-1-2-8-15)11(9-10)13(16)5-6-13/h3-4,9,16H,1-2,5-8H2
InChIKeyHAXPRTZYARPEAX-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol (CID 117316011) is 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol is OC1(c2cc(F)ccc2N2CCCC2)CC1.
What is the InChIKey of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol?
The InChIKey is HAXPRTZYARPEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-10-3-4-12(15-7-1-2-8-15)11(9-10)13(16)5-6-13/h3-4,9,16H,1-2,5-8H2.
What are the key properties of 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol?
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol has a molecular weight of 221.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyrrolidin-1-ylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117316011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).