(2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone

C12H12Cl2FNO2 — CID 75437843

IUPAC(2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(F)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C12H12Cl2FNO2/c1-12(15)2-3-16(6-12)11(18)10-8(14)4-7(13)5-9(10)17/h4-5,17H,2-3,6H2,1H3
InChIKeyCXFOWIDZSPEVCT-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.27
Rot. Bonds1

About (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone

(2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone (PubChem CID 75437843) has the molecular formula C12H12Cl2FNO2 and a molecular weight of 292.14 g/mol. Its IUPAC name is (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone
PubChem CID75437843
Molecular FormulaC12H12Cl2FNO2
Molecular Weight292.14 g/mol
Exact Mass291.02
IUPAC Name(2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(F)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1
InChIInChI=1S/C12H12Cl2FNO2/c1-12(15)2-3-16(6-12)11(18)10-8(14)4-7(13)5-9(10)17/h4-5,17H,2-3,6H2,1H3
InChIKeyCXFOWIDZSPEVCT-UHFFFAOYSA-N
XLogP3.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone (CID 75437843) is (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone is CC1(F)CCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1.
What is the InChIKey of (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is CXFOWIDZSPEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO2/c1-12(15)2-3-16(6-12)11(18)10-8(14)4-7(13)5-9(10)17/h4-5,17H,2-3,6H2,1H3.
What are the key properties of (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone?
(2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 292.14 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-6-hydroxyphenyl)-(3-fluoro-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 75437843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).