(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone

C12H13F2NO2 — CID 116560501

IUPAC(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H13F2NO2/c1-17-8-5-11(15-6-8)12(16)7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3
InChIKeyZTDNSEHQHCYUTE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.52
Rot. Bonds3

About (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone

(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 116560501) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID116560501
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H13F2NO2/c1-17-8-5-11(15-6-8)12(16)7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3
InChIKeyZTDNSEHQHCYUTE-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560565
(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560608
[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride
CID 128979468
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone
CID 126669698
4-methoxy-N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 62813538
N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
(3-bromothiophen-2-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560564
N-(4-carbamoylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214741
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone (CID 116560501) is (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is ZTDNSEHQHCYUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-17-8-5-11(15-6-8)12(16)7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 241.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 116560501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).