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

C13H16F4N2O — CID 107139797

IUPAC[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCOC1
InChIInChI=1S/C13H16F4N2O/c14-11-4-3-8(6-10(11)13(15,16)17)12(19-18)9-2-1-5-20-7-9/h3-4,6,9,12,19H,1-2,5,7,18H2
InChIKeyKWOQHAWDLDEBEG-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.78
Rot. Bonds3

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

[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine (PubChem CID 107139797) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
PubChem CID107139797
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCOC1
InChIInChI=1S/C13H16F4N2O/c14-11-4-3-8(6-10(11)13(15,16)17)12(19-18)9-2-1-5-20-7-9/h3-4,6,9,12,19H,1-2,5,7,18H2
InChIKeyKWOQHAWDLDEBEG-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.78
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

[cyclohexyl-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105282065
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139831
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
CID 107292378
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 115855875
[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]hydrazine
CID 107292329
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
1-(1,4-dioxan-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291816
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734

Frequently Asked Questions

What is the IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine?
The IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine (CID 107139797) is [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine.
What is the SMILES notation for [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine?
The canonical SMILES for [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine is NNC(c1ccc(F)c(C(F)(F)F)c1)C1CCCOC1.
What is the InChIKey of [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine?
The InChIKey is KWOQHAWDLDEBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-11-4-3-8(6-10(11)13(15,16)17)12(19-18)9-2-1-5-20-7-9/h3-4,6,9,12,19H,1-2,5,7,18H2.
What are the key properties of [[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine?
[[4-fluoro-3-(trifluoromethyl)phenyl]-(oxan-3-yl)methyl]hydrazine has a molecular weight of 292.28 g/mol, XLogP of 2.78, 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]-(oxan-3-yl)methyl]hydrazine is sourced from PubChem (CID 107139797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).