(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H15F2NO2 — CID 112627195

IUPAC(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C13H15F2NO2/c1-8(17)9-4-5-16(7-9)13(18)11-6-10(14)2-3-12(11)15/h2-3,6,8-9,17H,4-5,7H2,1H3
InChIKeyIEQAWDHGIMXNNO-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.81
Rot. Bonds2

About (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112627195) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112627195
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C13H15F2NO2/c1-8(17)9-4-5-16(7-9)13(18)11-6-10(14)2-3-12(11)15/h2-3,6,8-9,17H,4-5,7H2,1H3
InChIKeyIEQAWDHGIMXNNO-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023665
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 112627290
(3-chloro-5-fluoro-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023450
(4,5-difluoro-2-nitrophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115965153
(3-chloro-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102961379
(2-chloro-3-fluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627294
(2-bromo-5-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022948
(3-bromo-4-methylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 102962015
(2-fluoro-5-nitrophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835769
(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-difluorophenyl)methanone
CID 81483822
[3-(bromomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone
CID 80667046

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112627195) is (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IEQAWDHGIMXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8(17)9-4-5-16(7-9)13(18)11-6-10(14)2-3-12(11)15/h2-3,6,8-9,17H,4-5,7H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 255.26 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112627195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).