(3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone

C10H11F2NOS — CID 131128729

IUPAC(3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCC(F)(F)C2)sn1
InChIInChI=1S/C10H11F2NOS/c1-6-4-8(15-13-6)9(14)7-2-3-10(11,12)5-7/h4,7H,2-3,5H2,1H3
InChIKeyWWHYIXRABAMXKD-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.07
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone

(3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone (PubChem CID 131128729) has the molecular formula C10H11F2NOS and a molecular weight of 231.27 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
PubChem CID131128729
Molecular FormulaC10H11F2NOS
Molecular Weight231.27 g/mol
Exact Mass231.05
IUPAC Name(3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone
SMILESCc1cc(C(=O)C2CCC(F)(F)C2)sn1
InChIInChI=1S/C10H11F2NOS/c1-6-4-8(15-13-6)9(14)7-2-3-10(11,12)5-7/h4,7H,2-3,5H2,1H3
InChIKeyWWHYIXRABAMXKD-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone (CID 131128729) is (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone is Cc1cc(C(=O)C2CCC(F)(F)C2)sn1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
The InChIKey is WWHYIXRABAMXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NOS/c1-6-4-8(15-13-6)9(14)7-2-3-10(11,12)5-7/h4,7H,2-3,5H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone?
(3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone has a molecular weight of 231.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(3-methyl-1,2-thiazol-5-yl)methanone is sourced from PubChem (CID 131128729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).