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

C10H16F2N2OS — CID 103149239

IUPAC4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C10H16F2N2OS/c1-13-8(2-4-15-7-9(11)12)6-10-14-3-5-16-10/h3,5,8-9,13H,2,4,6-7H2,1H3
InChIKeyXNFMTNXUFVPKIU-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.95
Rot. Bonds8

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

4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 103149239) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID103149239
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine
SMILESCNC(CCOCC(F)F)Cc1nccs1
InChIInChI=1S/C10H16F2N2OS/c1-13-8(2-4-15-7-9(11)12)6-10-14-3-5-16-10/h3,5,8-9,13H,2,4,6-7H2,1H3
InChIKeyXNFMTNXUFVPKIU-UHFFFAOYSA-N
XLogP1.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.95
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)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine (CID 103149239) is 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine is CNC(CCOCC(F)F)Cc1nccs1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is XNFMTNXUFVPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-13-8(2-4-15-7-9(11)12)6-10-14-3-5-16-10/h3,5,8-9,13H,2,4,6-7H2,1H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine?
4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 250.31 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-methyl-1-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 103149239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).