[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine

C7H9ClF2N2S — CID 105265504

IUPAC[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1ccsc1C(NN)C(F)(F)Cl
InChIInChI=1S/C7H9ClF2N2S/c1-4-2-3-13-5(4)6(12-11)7(8,9)10/h2-3,6,12H,11H2,1H3
InChIKeyOLIYBTUPQZLQOP-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.39
Rot. Bonds3

About [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine

[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine (PubChem CID 105265504) has the molecular formula C7H9ClF2N2S and a molecular weight of 226.68 g/mol. Its IUPAC name is [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine
PubChem CID105265504
Molecular FormulaC7H9ClF2N2S
Molecular Weight226.68 g/mol
Exact Mass226.01
IUPAC Name[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1ccsc1C(NN)C(F)(F)Cl
InChIInChI=1S/C7H9ClF2N2S/c1-4-2-3-13-5(4)6(12-11)7(8,9)10/h2-3,6,12H,11H2,1H3
InChIKeyOLIYBTUPQZLQOP-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-hydrazinyl-N,N,2-trimethyl-1-(3-methylthiophen-2-yl)butan-2-amine
CID 105240611
[2-methyl-1-(3-methylthiophen-2-yl)-2-morpholin-4-ylpropyl]hydrazine
CID 105240145
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
[1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215838
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
[(4-tert-butylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105300421
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
3-(2-chloro-2,2-difluoro-1-hydrazinylethyl)-4-methylpyridin-2-amine
CID 105265616
[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208141
[(2-methylfuran-3-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105269085
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221

Frequently Asked Questions

What is the IUPAC name of [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine (CID 105265504) is [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine is Cc1ccsc1C(NN)C(F)(F)Cl.
What is the InChIKey of [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
The InChIKey is OLIYBTUPQZLQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2S/c1-4-2-3-13-5(4)6(12-11)7(8,9)10/h2-3,6,12H,11H2,1H3.
What are the key properties of [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
[2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 226.68 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2,2-difluoro-1-(3-methylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105265504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).