(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C14H16F3NO2 — CID 116572885

IUPAC(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2(C(F)(F)F)CCNC2)c(C)c1
InChIInChI=1S/C14H16F3NO2/c1-9-7-10(20-2)3-4-11(9)12(19)13(14(15,16)17)5-6-18-8-13/h3-4,7,18H,5-6,8H2,1-2H3
InChIKeyGRCXJCKVHCRCQI-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.73
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572885) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572885
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2(C(F)(F)F)CCNC2)c(C)c1
InChIInChI=1S/C14H16F3NO2/c1-9-7-10(20-2)3-4-11(9)12(19)13(14(15,16)17)5-6-18-8-13/h3-4,7,18H,5-6,8H2,1-2H3
InChIKeyGRCXJCKVHCRCQI-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572753
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708573
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572944
(1-ethoxycycloheptyl)-(4-methoxy-2-methylphenyl)methanone
CID 116750804
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(3,3-difluorocyclohexyl)-(4-methoxy-2-methylphenyl)methanone
CID 114215515
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665
(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572851
(2-fluoro-4-methoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 103397099
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
N-(4-bromo-3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82861189
pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572790

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572885) is (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is COc1ccc(C(=O)C2(C(F)(F)F)CCNC2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is GRCXJCKVHCRCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9-7-10(20-2)3-4-11(9)12(19)13(14(15,16)17)5-6-18-8-13/h3-4,7,18H,5-6,8H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 287.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).