[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C9H8F6N2 — CID 53402398

IUPAC[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H8F6N2/c10-8(11,12)6-3-1-2-5(4-6)7(17-16)9(13,14)15/h1-4,7,17H,16H2
InChIKeyCNQLWSOTZPOZKI-UHFFFAOYSA-N
MW258.17 g/mol
LogP2.77
Rot. Bonds2

About [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 53402398) has the molecular formula C9H8F6N2 and a molecular weight of 258.17 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID53402398
Molecular FormulaC9H8F6N2
Molecular Weight258.17 g/mol
Exact Mass258.06
IUPAC Name[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(c1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C9H8F6N2/c10-8(11,12)6-3-1-2-5(4-6)7(17-16)9(13,14)15/h1-4,7,17H,16H2
InChIKeyCNQLWSOTZPOZKI-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
N-[(1S)-2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 124565620
CID 162573398
CID 162573398
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
[(3-bromo-5-chlorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107948177
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
CID 103025278
[(4-ethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193954

Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 53402398) is [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(c1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is CNQLWSOTZPOZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2/c10-8(11,12)6-3-1-2-5(4-6)7(17-16)9(13,14)15/h1-4,7,17H,16H2.
What are the key properties of [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 258.17 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 53402398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).