2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide

C11H10ClF3N2O — CID 139333296

IUPAC2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide
SMILESC=C(C)N(N)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O/c1-6(2)17(16)10(18)9-7(11(13,14)15)4-3-5-8(9)12/h3-5H,1,16H2,2H3
InChIKeyWPSWZBVCTHNHDG-UHFFFAOYSA-N
MW278.66 g/mol
LogP3.21
Rot. Bonds2

About 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide

2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide (PubChem CID 139333296) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound Name2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide
PubChem CID139333296
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide
SMILESC=C(C)N(N)C(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C11H10ClF3N2O/c1-6(2)17(16)10(18)9-7(11(13,14)15)4-3-5-8(9)12/h3-5H,1,16H2,2H3
InChIKeyWPSWZBVCTHNHDG-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide?
The IUPAC name of 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide (CID 139333296) is 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide?
The canonical SMILES for 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide is C=C(C)N(N)C(=O)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide?
The InChIKey is WPSWZBVCTHNHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c1-6(2)17(16)10(18)9-7(11(13,14)15)4-3-5-8(9)12/h3-5H,1,16H2,2H3.
What are the key properties of 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide?
2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide has a molecular weight of 278.66 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-prop-1-en-2-yl-6-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 139333296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).