[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C12H15F3N2O — CID 105250675

IUPAC[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCC1(C(NN)c2ccc(F)c(F)c2F)CCCO1
InChIInChI=1S/C12H15F3N2O/c1-12(5-2-6-18-12)11(17-16)7-3-4-8(13)10(15)9(7)14/h3-4,11,17H,2,5-6,16H2,1H3
InChIKeyKOOANEWTXWEJNA-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.18
Rot. Bonds3

About [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105250675) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105250675
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCC1(C(NN)c2ccc(F)c(F)c2F)CCCO1
InChIInChI=1S/C12H15F3N2O/c1-12(5-2-6-18-12)11(17-16)7-3-4-8(13)10(15)9(7)14/h3-4,11,17H,2,5-6,16H2,1H3
InChIKeyKOOANEWTXWEJNA-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105397915
[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276457
[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276212
[(2-methyloxolan-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105250712
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 82822643
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methyloxan-2-yl)methyl]hydrazine
CID 107292381
[(2,4-dimethoxyphenyl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256300
[(3,4-dimethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250890
[(3-ethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250686
(4-chloro-2-fluorophenyl)-(2-methyloxan-2-yl)methanamine
CID 80684717
[(2-methyloxolan-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105250846
[(2-methyloxolan-2-yl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105250961

Frequently Asked Questions

What is the IUPAC name of [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105250675) is [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine is CC1(C(NN)c2ccc(F)c(F)c2F)CCCO1.
What is the InChIKey of [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is KOOANEWTXWEJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-12(5-2-6-18-12)11(17-16)7-3-4-8(13)10(15)9(7)14/h3-4,11,17H,2,5-6,16H2,1H3.
What are the key properties of [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 260.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105250675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).