[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine

C11H14F4N2 — CID 105313967

IUPAC[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
SMILESCc1cccc(C(CCC(F)(F)F)NN)c1F
InChIInChI=1S/C11H14F4N2/c1-7-3-2-4-8(10(7)12)9(17-16)5-6-11(13,14)15/h2-4,9,17H,5-6,16H2,1H3
InChIKeyQWXPFAQOJYGZTO-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.98
Rot. Bonds4

About [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine

[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine (PubChem CID 105313967) has the molecular formula C11H14F4N2 and a molecular weight of 250.24 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
PubChem CID105313967
Molecular FormulaC11H14F4N2
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
SMILESCc1cccc(C(CCC(F)(F)F)NN)c1F
InChIInChI=1S/C11H14F4N2/c1-7-3-2-4-8(10(7)12)9(17-16)5-6-11(13,14)15/h2-4,9,17H,5-6,16H2,1H3
InChIKeyQWXPFAQOJYGZTO-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.98
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

1-(2-fluoro-3-methylphenyl)octylhydrazine
CID 105293647
1-(2-fluoro-3-methylphenyl)undecylhydrazine
CID 105298411
[1-(2-fluoro-3-methylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290996
[1-(2-fluoro-3-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105323816
[2-(3,5-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105413149
[2-cyclobutyl-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105310166
[1-(2,6-dichlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313893
[1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340417
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
[2-(5-chloro-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 103053835
[1-(2-fluoro-3-methylphenyl)-2-pyridin-2-ylethyl]hydrazine
CID 105315397
1-[2-fluoro-3-(trifluoromethyl)phenyl]octylhydrazine
CID 105250334

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine (CID 105313967) is [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine is Cc1cccc(C(CCC(F)(F)F)NN)c1F.
What is the InChIKey of [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine?
The InChIKey is QWXPFAQOJYGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2/c1-7-3-2-4-8(10(7)12)9(17-16)5-6-11(13,14)15/h2-4,9,17H,5-6,16H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine?
[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine has a molecular weight of 250.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine is sourced from PubChem (CID 105313967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).