(3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C12H19F2NO2 — CID 114226428

IUPAC(3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2CCC(F)(F)C2)C1
InChIInChI=1S/C12H19F2NO2/c1-2-4-11(17)7-15(8-11)10(16)9-3-5-12(13,14)6-9/h9,17H,2-8H2,1H3
InChIKeyUQFPPWXJGJQPAR-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.80
Rot. Bonds3

About (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 114226428) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID114226428
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2CCC(F)(F)C2)C1
InChIInChI=1S/C12H19F2NO2/c1-2-4-11(17)7-15(8-11)10(16)9-3-5-12(13,14)6-9/h9,17H,2-8H2,1H3
InChIKeyUQFPPWXJGJQPAR-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 114226428) is (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)C2CCC(F)(F)C2)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is UQFPPWXJGJQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-2-4-11(17)7-15(8-11)10(16)9-3-5-12(13,14)6-9/h9,17H,2-8H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 247.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 114226428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).