2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one

C7H7F2NOS — CID 131181509

IUPAC2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)(F)F)sn1
InChIInChI=1S/C7H7F2NOS/c1-4-3-5(12-10-4)6(11)7(2,8)9/h3H,1-2H3
InChIKeyKQQZNVBAWZCHCS-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.29
Rot. Bonds2

About 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one

2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one (PubChem CID 131181509) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
PubChem CID131181509
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one
SMILESCc1cc(C(=O)C(C)(F)F)sn1
InChIInChI=1S/C7H7F2NOS/c1-4-3-5(12-10-4)6(11)7(2,8)9/h3H,1-2H3
InChIKeyKQQZNVBAWZCHCS-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one (CID 131181509) is 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one is Cc1cc(C(=O)C(C)(F)F)sn1.
What is the InChIKey of 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
The InChIKey is KQQZNVBAWZCHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c1-4-3-5(12-10-4)6(11)7(2,8)9/h3H,1-2H3.
What are the key properties of 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one?
2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one has a molecular weight of 191.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 131181509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).