4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C10H16F2N2OS — CID 103148894

IUPAC4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCc1csc(CC(N)CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N2OS/c1-7-6-16-10(14-7)4-8(13)2-3-15-5-9(11)12/h6,8-9H,2-5,13H2,1H3
InChIKeySCIJOHVCWMMELG-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.99
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 103148894) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID103148894
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCc1csc(CC(N)CCOCC(F)F)n1
InChIInChI=1S/C10H16F2N2OS/c1-7-6-16-10(14-7)4-8(13)2-3-15-5-9(11)12/h6,8-9H,2-5,13H2,1H3
InChIKeySCIJOHVCWMMELG-UHFFFAOYSA-N
XLogP1.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 103148894) is 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is Cc1csc(CC(N)CCOCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is SCIJOHVCWMMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-7-6-16-10(14-7)4-8(13)2-3-15-5-9(11)12/h6,8-9H,2-5,13H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 250.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 103148894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).