1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine

C12H14F2N2O — CID 105290570

IUPAC1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O/c1-2-3-7-10(16-15)9-6-4-5-8-11(9)17-12(13)14/h4-6,8,10,12,16H,7,15H2,1H3
InChIKeyKTZDQHOPUZCRLI-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine

1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine (PubChem CID 105290570) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine
PubChem CID105290570
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine
SMILESCC#CCC(NN)c1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O/c1-2-3-7-10(16-15)9-6-4-5-8-11(9)17-12(13)14/h4-6,8,10,12,16H,7,15H2,1H3
InChIKeyKTZDQHOPUZCRLI-UHFFFAOYSA-N
XLogP2.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.21
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(difluoromethoxy)phenyl]hexylhydrazine
CID 105294561
1-(2-methoxyphenyl)hex-4-ynylhydrazine
CID 105191206
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
[1-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropyl]hydrazine
CID 105305256
1-[2-(difluoromethoxy)phenyl]prop-2-ynylhydrazine
CID 105315471
[1-[2-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105326538
[1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethyl]hydrazine
CID 105298760
[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190770
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine (CID 105290570) is 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine is CC#CCC(NN)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine?
The InChIKey is KTZDQHOPUZCRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-2-3-7-10(16-15)9-6-4-5-8-11(9)17-12(13)14/h4-6,8,10,12,16H,7,15H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine?
1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine has a molecular weight of 240.25 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine is sourced from PubChem (CID 105290570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).