[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C9H12BrF3N2OS — CID 103151632

IUPAC[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C9H12BrF3N2OS/c10-6-2-4-17-8(6)7(15-14)1-3-16-5-9(11,12)13/h2,4,7,15H,1,3,5,14H2
InChIKeyKOMAEPROBPSTGR-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.98
Rot. Bonds6

About [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151632) has the molecular formula C9H12BrF3N2OS and a molecular weight of 333.17 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151632
Molecular FormulaC9H12BrF3N2OS
Molecular Weight333.17 g/mol
Exact Mass331.98
IUPAC Name[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C9H12BrF3N2OS/c10-6-2-4-17-8(6)7(15-14)1-3-16-5-9(11,12)13/h2,4,7,15H,1,3,5,14H2
InChIKeyKOMAEPROBPSTGR-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235170
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105327947
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310605
[1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215838
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151632) is [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)c1sccc1Br.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is KOMAEPROBPSTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrF3N2OS/c10-6-2-4-17-8(6)7(15-14)1-3-16-5-9(11,12)13/h2,4,7,15H,1,3,5,14H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 333.17 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).