[4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine

C9H15F2N3OS — CID 103152091

IUPAC[4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1cncs1
InChIInChI=1S/C9H15F2N3OS/c10-9(11)5-15-2-1-7(14-12)3-8-4-13-6-16-8/h4,6-7,9,14H,1-3,5,12H2
InChIKeyUDVPACXNHWXPDZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.19
Rot. Bonds8

About [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine (PubChem CID 103152091) has the molecular formula C9H15F2N3OS and a molecular weight of 251.30 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
PubChem CID103152091
Molecular FormulaC9H15F2N3OS
Molecular Weight251.30 g/mol
Exact Mass251.09
IUPAC Name[4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1cncs1
InChIInChI=1S/C9H15F2N3OS/c10-9(11)5-15-2-1-7(14-12)3-8-4-13-6-16-8/h4,6-7,9,14H,1-3,5,12H2
InChIKeyUDVPACXNHWXPDZ-UHFFFAOYSA-N
XLogP1.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine (CID 103152091) is [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine is NNC(CCOCC(F)F)Cc1cncs1.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The InChIKey is UDVPACXNHWXPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3OS/c10-9(11)5-15-2-1-7(14-12)3-8-4-13-6-16-8/h4,6-7,9,14H,1-3,5,12H2.
What are the key properties of [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine has a molecular weight of 251.30 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 103152091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).