[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride

C13H11ClF4N2O — CID 22142154

IUPAC[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C13H10F4N2O.ClH/c14-11-7-9(19-18)4-5-12(11)20-10-3-1-2-8(6-10)13(15,16)17;/h1-7,19H,18H2;1H
InChIKeyUZPZRCMOLIGVBL-UHFFFAOYSA-N
MW322.69 g/mol
LogP4.34
Rot. Bonds3

About [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride

[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride (PubChem CID 22142154) has the molecular formula C13H11ClF4N2O and a molecular weight of 322.69 g/mol. Its IUPAC name is [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride
PubChem CID22142154
Molecular FormulaC13H11ClF4N2O
Molecular Weight322.69 g/mol
Exact Mass322.05
IUPAC Name[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C13H10F4N2O.ClH/c14-11-7-9(19-18)4-5-12(11)20-10-3-1-2-8(6-10)13(15,16)17;/h1-7,19H,18H2;1H
InChIKeyUZPZRCMOLIGVBL-UHFFFAOYSA-N
XLogP4.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.69
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine
CID 22142155
[5-fluoro-2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 63673150
4-fluoro-5-iodo-2-[3-(trifluoromethyl)phenoxy]aniline
CID 66100551
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
CID 157036896
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
3-(2,4-difluorophenoxy)aniline
CID 71424948
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283755

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride?
The IUPAC name of [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride (CID 22142154) is [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride?
The canonical SMILES for [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(Oc2cccc(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride?
The InChIKey is UZPZRCMOLIGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O.ClH/c14-11-7-9(19-18)4-5-12(11)20-10-3-1-2-8(6-10)13(15,16)17;/h1-7,19H,18H2;1H.
What are the key properties of [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride?
[3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride has a molecular weight of 322.69 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 22142154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).