2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide

C14H18F3N3O — CID 105351807

IUPAC2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN(CC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-20(12-5-6-12)8-11-3-1-10(2-4-11)7-13(21)19-18/h1-4,12H,5-9,18H2,(H,19,21)
InChIKeyASBHRSUQTMIOHI-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.75
Rot. Bonds6

About 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide

2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide (PubChem CID 105351807) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
PubChem CID105351807
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CN(CC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-20(12-5-6-12)8-11-3-1-10(2-4-11)7-13(21)19-18/h1-4,12H,5-9,18H2,(H,19,21)
InChIKeyASBHRSUQTMIOHI-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[4-[[cyclopropyl(2-hydroxyethyl)amino]methyl]phenyl]acetohydrazide
CID 105351935
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55009014
3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
CID 63640935
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879322
2-[4-[[methyl-(2-methylcyclohexyl)amino]methyl]phenyl]acetohydrazide
CID 105351888
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43460960
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62428425
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 102669858
3-[[cyclobutyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylbenzamide
CID 75434556
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87014260
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide (CID 105351807) is 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CN(CC(F)(F)F)C2CC2)cc1.
What is the InChIKey of 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide?
The InChIKey is ASBHRSUQTMIOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)9-20(12-5-6-12)8-11-3-1-10(2-4-11)7-13(21)19-18/h1-4,12H,5-9,18H2,(H,19,21).
What are the key properties of 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide?
2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide has a molecular weight of 301.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).