1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone

C12H10F5NO2S — CID 67315715

IUPAC1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H10F5NO2S/c13-11(14)3-5-18(6-4-11)10(20)8-2-1-7(21-8)9(19)12(15,16)17/h1-2H,3-6H2
InChIKeyAAYZVXQSGFQICU-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.36
Rot. Bonds2

About 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone

1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone (PubChem CID 67315715) has the molecular formula C12H10F5NO2S and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
PubChem CID67315715
Molecular FormulaC12H10F5NO2S
Molecular Weight327.27 g/mol
Exact Mass327.04
IUPAC Name1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H10F5NO2S/c13-11(14)3-5-18(6-4-11)10(20)8-2-1-7(21-8)9(19)12(15,16)17/h1-2H,3-6H2
InChIKeyAAYZVXQSGFQICU-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone (CID 67315715) is 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone is O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is AAYZVXQSGFQICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5NO2S/c13-11(14)3-5-18(6-4-11)10(20)8-2-1-7(21-8)9(19)12(15,16)17/h1-2H,3-6H2.
What are the key properties of 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone?
1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 327.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 67315715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).