[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

C15H19F2NO3 — CID 79538817

IUPAC[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCC(O)CC1CCCN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO3/c1-10(19)9-12-3-2-8-18(12)14(20)11-4-6-13(7-5-11)21-15(16)17/h4-7,10,12,15,19H,2-3,8-9H2,1H3
InChIKeyZXXKKTYTZBOYQO-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.66
Rot. Bonds5

About [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 79538817) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID79538817
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCC(O)CC1CCCN1C(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO3/c1-10(19)9-12-3-2-8-18(12)14(20)11-4-6-13(7-5-11)21-15(16)17/h4-7,10,12,15,19H,2-3,8-9H2,1H3
InChIKeyZXXKKTYTZBOYQO-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(difluoromethoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484657
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
[4-(difluoromethoxy)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 90649899
(3-fluoro-4-methoxyphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546369
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
1,3-dihydro-2-benzofuran-5-yl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546805
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
phenyl 2-(2-hydroxypropyl)pyrrolidine-1-carboxylate
CID 79546809

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 79538817) is [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is CC(O)CC1CCCN1C(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZXXKKTYTZBOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-10(19)9-12-3-2-8-18(12)14(20)11-4-6-13(7-5-11)21-15(16)17/h4-7,10,12,15,19H,2-3,8-9H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
[4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79538817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).