(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

C13H15ClFNO2 — CID 110866905

IUPAC(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO2/c1-18-8-9-4-3-7-16(9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyVBCUDEWSYOMCID-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.73
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 110866905) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID110866905
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOCC1CCCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO2/c1-18-8-9-4-3-7-16(9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyVBCUDEWSYOMCID-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118794181
(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 50963476
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
(2-chloro-6-fluorophenyl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 94080653
[2-(chloromethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016719
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80504899
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
[2-(bromomethyl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016765
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 110866905) is (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is COCC1CCCN1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VBCUDEWSYOMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-18-8-9-4-3-7-16(9)13(17)12-10(14)5-2-6-11(12)15/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 271.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110866905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).