4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline

C8H10F3N3 — CID 150842460

IUPAC4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline
SMILESNc1ccc(NNCC(F)(F)F)cc1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)5-13-14-7-3-1-6(12)2-4-7/h1-4,13-14H,5,12H2
InChIKeyKOGZBQUJDHHEJQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.75
Rot. Bonds3

About 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline

4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline (PubChem CID 150842460) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline
PubChem CID150842460
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline
SMILESNc1ccc(NNCC(F)(F)F)cc1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)5-13-14-7-3-1-6(12)2-4-7/h1-4,13-14H,5,12H2
InChIKeyKOGZBQUJDHHEJQ-UHFFFAOYSA-N
XLogP1.75
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,2-difluoropropyl)benzene-1,4-diamine
CID 154216911
4-(2-prop-2-enylhydrazinyl)aniline
CID 68618239
4-N-(2,2,3,3,4,4,4-heptafluorobutyl)benzene-1,4-diamine
CID 23104323
1-(4-aminoanilino)propane-2,2-diol
CID 67103383
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
4-[(2,2,2-trifluoroethylsulfamoylamino)methyl]aniline
CID 114804619
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43602626
4-N-(2-bromoethyl)benzene-1,4-diamine
CID 70360117
3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline?
The IUPAC name of 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline (CID 150842460) is 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline is Nc1ccc(NNCC(F)(F)F)cc1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline?
The InChIKey is KOGZBQUJDHHEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)5-13-14-7-3-1-6(12)2-4-7/h1-4,13-14H,5,12H2.
What are the key properties of 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline?
4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline has a molecular weight of 205.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethyl)hydrazinyl]aniline is sourced from PubChem (CID 150842460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).