(3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone

C8H8F2N2OS — CID 130685234

IUPAC(3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(F)(F)C1
InChIInChI=1S/C8H8F2N2OS/c9-8(10)1-2-12(4-8)7(13)6-3-14-5-11-6/h3,5H,1-2,4H2
InChIKeyITSJRCLMFVSWRX-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.62
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 130685234) has the molecular formula C8H8F2N2OS and a molecular weight of 218.23 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID130685234
Molecular FormulaC8H8F2N2OS
Molecular Weight218.23 g/mol
Exact Mass218.03
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(F)(F)C1
InChIInChI=1S/C8H8F2N2OS/c9-8(10)1-2-12(4-8)7(13)6-3-14-5-11-6/h3,5H,1-2,4H2
InChIKeyITSJRCLMFVSWRX-UHFFFAOYSA-N
XLogP1.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 130685234) is (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is ITSJRCLMFVSWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2OS/c9-8(10)1-2-12(4-8)7(13)6-3-14-5-11-6/h3,5H,1-2,4H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 218.23 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130685234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).