[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine

C14H18F4N2O — CID 107292381

IUPAC[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
SMILESCC1(C(NN)c2ccc(F)c(C(F)(F)F)c2)CCCCO1
InChIInChI=1S/C14H18F4N2O/c1-13(6-2-3-7-21-13)12(20-19)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,12,20H,2-3,6-7,19H2,1H3
InChIKeyJOBPFNYABDMDSR-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.31
Rot. Bonds3

About [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine

[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine (PubChem CID 107292381) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
PubChem CID107292381
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
SMILESCC1(C(NN)c2ccc(F)c(C(F)(F)F)c2)CCCCO1
InChIInChI=1S/C14H18F4N2O/c1-13(6-2-3-7-21-13)12(20-19)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,12,20H,2-3,6-7,19H2,1H3
InChIKeyJOBPFNYABDMDSR-UHFFFAOYSA-N
XLogP3.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.31
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

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890
[(2-methyloxan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105256191
[(2-methyloxolan-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105250712
[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105250675
[(2-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105250961
[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
(4,4-dimethylcyclohexyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289028
[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
[(3-ethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250686
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107129013

Frequently Asked Questions

What is the IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine?
The IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine (CID 107292381) is [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine.
What is the SMILES notation for [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine?
The canonical SMILES for [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine is CC1(C(NN)c2ccc(F)c(C(F)(F)F)c2)CCCCO1.
What is the InChIKey of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine?
The InChIKey is JOBPFNYABDMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-13(6-2-3-7-21-13)12(20-19)9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,12,20H,2-3,6-7,19H2,1H3.
What are the key properties of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine?
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine has a molecular weight of 306.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine is sourced from PubChem (CID 107292381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).