(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one

C14H17F2NO3 — CID 11543770

IUPAC(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one
SMILESCC(C)Oc1cc([C@@H]2CNC(=O)C2)ccc1OC(F)F
InChIInChI=1S/C14H17F2NO3/c1-8(2)19-12-5-9(10-6-13(18)17-7-10)3-4-11(12)20-14(15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyUVAQRPTVYZSMOT-JTQLQIEISA-N
MW285.29 g/mol
LogP2.68
Rot. Bonds5

About (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one

(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one (PubChem CID 11543770) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one
PubChem CID11543770
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one
SMILESCC(C)Oc1cc([C@@H]2CNC(=O)C2)ccc1OC(F)F
InChIInChI=1S/C14H17F2NO3/c1-8(2)19-12-5-9(10-6-13(18)17-7-10)3-4-11(12)20-14(15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H,17,18)/t10-/m0/s1
InChIKeyUVAQRPTVYZSMOT-JTQLQIEISA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-amino-3-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 53417791
4-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]pyrrolidin-2-one
CID 23614674
(4S)-4-[4-(difluoromethoxy)-3-phenylmethoxyphenyl]pyrrolidin-2-one
CID 11573521
4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one
CID 87633832
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
4-[3-(2-chloroethoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 23345044
4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 5092
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
4-[3-(1-cyclohexylpropoxy)-4-methoxyphenyl]pyrrolidin-2-one
CID 91121012
1-[(2R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 157023344
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one (CID 11543770) is (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one is CC(C)Oc1cc([C@@H]2CNC(=O)C2)ccc1OC(F)F.
What is the InChIKey of (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one?
The InChIKey is UVAQRPTVYZSMOT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-8(2)19-12-5-9(10-6-13(18)17-7-10)3-4-11(12)20-14(15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one?
(4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one has a molecular weight of 285.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 11543770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).