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

C13H18F2N2O — CID 107516672

IUPAC[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2OCCC2C)c(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-7-3-4-9(11(15)10(7)14)12(17-16)13-8(2)5-6-18-13/h3-4,8,12-13,17H,5-6,16H2,1-2H3
InChIKeyTXUGBZZRCKBYIK-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.20
Rot. Bonds3

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

[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine (PubChem CID 107516672) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
PubChem CID107516672
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2OCCC2C)c(F)c1F
InChIInChI=1S/C13H18F2N2O/c1-7-3-4-9(11(15)10(7)14)12(17-16)13-8(2)5-6-18-13/h3-4,8,12-13,17H,5-6,16H2,1-2H3
InChIKeyTXUGBZZRCKBYIK-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.20
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

N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 106765562
[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107516568
[cyclooctyl-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516472
[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187
[(3-methyloxolan-2-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105305599
[3,4-dihydro-2H-pyran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333267
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
[(3-bromothiophen-2-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105327960
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105301069
[(4-cyclopropyloxyphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105341053
[(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 107516416

Frequently Asked Questions

What is the IUPAC name of [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The IUPAC name of [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine (CID 107516672) is [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2OCCC2C)c(F)c1F.
What is the InChIKey of [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The InChIKey is TXUGBZZRCKBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-7-3-4-9(11(15)10(7)14)12(17-16)13-8(2)5-6-18-13/h3-4,8,12-13,17H,5-6,16H2,1-2H3.
What are the key properties of [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine has a molecular weight of 256.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 107516672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).