[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine

C11H12ClF3N2O — CID 105215670

IUPAC[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
SMILESNNC(Cc1cc(Cl)cc2c1OCC2)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c12-8-3-6-1-2-18-10(6)7(4-8)5-9(17-16)11(13,14)15/h3-4,9,17H,1-2,5,16H2
InChIKeyCOZRYTOCHHTSRQ-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.21
Rot. Bonds3

About [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine

[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine (PubChem CID 105215670) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
PubChem CID105215670
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
SMILESNNC(Cc1cc(Cl)cc2c1OCC2)C(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c12-8-3-6-1-2-18-10(6)7(4-8)5-9(17-16)11(13,14)15/h3-4,9,17H,1-2,5,16H2
InChIKeyCOZRYTOCHHTSRQ-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.21
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

3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 105031458
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-methyl-3-methylsulfonylbutan-2-yl]hydrazine
CID 105332467
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204339
5-chloro-7-(2-chloropropyl)-2,3-dihydro-1-benzofuran
CID 126973912
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116758088
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-methylcyclohexyl)ethyl]hydrazine
CID 106831346
4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244044
[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1-ethylcyclopentyl)ethyl]hydrazine
CID 105332432
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-cyclopentylpropan-2-amine
CID 105031505
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216145
[1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-ethylheptan-2-yl]hydrazine
CID 105332421
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethanamine
CID 113403553

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
The IUPAC name of [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine (CID 105215670) is [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine.
What is the SMILES notation for [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
The canonical SMILES for [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine is NNC(Cc1cc(Cl)cc2c1OCC2)C(F)(F)F.
What is the InChIKey of [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
The InChIKey is COZRYTOCHHTSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c12-8-3-6-1-2-18-10(6)7(4-8)5-9(17-16)11(13,14)15/h3-4,9,17H,1-2,5,16H2.
What are the key properties of [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine?
[3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine has a molecular weight of 280.68 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoropropan-2-yl]hydrazine is sourced from PubChem (CID 105215670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).