(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone

C13H16FNO2 — CID 103709651

IUPAC(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2C)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-9-4-3-7-15(9)13(16)11-6-5-10(17-2)8-12(11)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyKBSBUBVJBSHERA-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.46
Rot. Bonds2

About (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone

(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 103709651) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID103709651
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2C)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-9-4-3-7-15(9)13(16)11-6-5-10(17-2)8-12(11)14/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyKBSBUBVJBSHERA-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylpiperidin-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103687923
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
1-(2-fluoro-4-methoxybenzoyl)pyrrolidine-2-carbothioamide
CID 102883167
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-2-yl]acetic acid
CID 103628823
1-(2-fluoro-4-methoxybenzoyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103195180
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885409
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884019
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96533912

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 103709651) is (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone is COc1ccc(C(=O)N2CCCC2C)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is KBSBUBVJBSHERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9-4-3-7-15(9)13(16)11-6-5-10(17-2)8-12(11)14/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone?
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103709651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).