(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate

C12H11F2NO3 — CID 116819341

IUPAC(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H11F2NO3/c13-10-4-3-9(6-11(10)14)18-12(17)15-5-1-2-8(16)7-15/h3-4,6H,1-2,5,7H2
InChIKeyIHBQPINNIWUZKK-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.13
Rot. Bonds1

About (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate

(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate (PubChem CID 116819341) has the molecular formula C12H11F2NO3 and a molecular weight of 255.22 g/mol. Its IUPAC name is (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate
PubChem CID116819341
Molecular FormulaC12H11F2NO3
Molecular Weight255.22 g/mol
Exact Mass255.07
IUPAC Name(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H11F2NO3/c13-10-4-3-9(6-11(10)14)18-12(17)15-5-1-2-8(16)7-15/h3-4,6H,1-2,5,7H2
InChIKeyIHBQPINNIWUZKK-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819308
(3,4-dimethylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819331
(2-methylphenyl) 3-oxopiperidine-1-carboxylate
CID 116819303
(3,5-dimethoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819425
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
bis(3,4-difluorophenyl) propanedioate
CID 90195185
[4-(2,3,4-trifluorophenyl)phenyl] piperidine-1-carboxylate
CID 175360076
(2-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819397
(4-formyl-3-hydroxyphenyl) piperidine-1-carboxylate
CID 118041589
(3,4-difluorophenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 24980602
(6-bromonaphthalen-2-yl) pyrrolidine-1-carboxylate
CID 971360

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate?
The IUPAC name of (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate (CID 116819341) is (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate.
What is the SMILES notation for (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate?
The canonical SMILES for (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate is O=C1CCCN(C(=O)Oc2ccc(F)c(F)c2)C1.
What is the InChIKey of (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate?
The InChIKey is IHBQPINNIWUZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3/c13-10-4-3-9(6-11(10)14)18-12(17)15-5-1-2-8(16)7-15/h3-4,6H,1-2,5,7H2.
What are the key properties of (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate?
(3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate has a molecular weight of 255.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) 3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 116819341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).