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

C9H9F2NOS — CID 130948500

IUPAC(3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCC(F)(F)C1
InChIInChI=1S/C9H9F2NOS/c10-9(11)2-1-6(3-9)8(13)7-4-14-5-12-7/h4-6H,1-3H2
InChIKeyOOOSGGSXAIPINI-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.76
Rot. Bonds2

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

(3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone (PubChem CID 130948500) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone
PubChem CID130948500
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name(3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)C1CCC(F)(F)C1
InChIInChI=1S/C9H9F2NOS/c10-9(11)2-1-6(3-9)8(13)7-4-14-5-12-7/h4-6H,1-3H2
InChIKeyOOOSGGSXAIPINI-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone (CID 130948500) is (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is OOOSGGSXAIPINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-9(11)2-1-6(3-9)8(13)7-4-14-5-12-7/h4-6H,1-3H2.
What are the key properties of (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone?
(3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 217.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 130948500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).