[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine

C16H14ClFN2S — CID 105295198

IUPAC[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C16H14ClFN2S/c17-13-9-12(18)6-5-10(13)7-14(20-19)16-8-11-3-1-2-4-15(11)21-16/h1-6,8-9,14,20H,7,19H2
InChIKeyTYUMSQJHNRKTFF-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.44
Rot. Bonds4

About [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine

[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine (PubChem CID 105295198) has the molecular formula C16H14ClFN2S and a molecular weight of 320.82 g/mol. Its IUPAC name is [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
PubChem CID105295198
Molecular FormulaC16H14ClFN2S
Molecular Weight320.82 g/mol
Exact Mass320.06
IUPAC Name[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C16H14ClFN2S/c17-13-9-12(18)6-5-10(13)7-14(20-19)16-8-11-3-1-2-4-15(11)21-16/h1-6,8-9,14,20H,7,19H2
InChIKeyTYUMSQJHNRKTFF-UHFFFAOYSA-N
XLogP4.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(1-benzothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethyl]hydrazine
CID 102868587
[1-(1-benzothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]hydrazine
CID 103053796
2-(2-chlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)-N-methylethanamine
CID 105096573
[2-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105295206
1-(1-benzothiophen-2-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 63527021
1-(1-benzothiophen-2-yl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810512
[2-(2-chloro-4-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106786780
[1-(6-fluoro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105283753
[2-(2-chloro-4-fluorophenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213440
[1-(5-fluoro-1-benzothiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105285056
[2-(2-chloro-4-fluorophenyl)-1-thiophen-3-ylethyl]hydrazine
CID 105196675
[2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295166

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine (CID 105295198) is [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine is NNC(Cc1ccc(F)cc1Cl)c1cc2ccccc2s1.
What is the InChIKey of [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
The InChIKey is TYUMSQJHNRKTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2S/c17-13-9-12(18)6-5-10(13)7-14(20-19)16-8-11-3-1-2-4-15(11)21-16/h1-6,8-9,14,20H,7,19H2.
What are the key properties of [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine?
[1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine has a molecular weight of 320.82 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-2-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105295198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).