3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol

C12H16F2N2O3 — CID 162544823

IUPAC3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol
SMILESCC(O)C(=NNc1cccc(OC(F)F)c1)C(C)O
InChIInChI=1S/C12H16F2N2O3/c1-7(17)11(8(2)18)16-15-9-4-3-5-10(6-9)19-12(13)14/h3-8,12,15,17-18H,1-2H3
InChIKeyASGYREIIQSDCLN-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.82
Rot. Bonds6

About 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol

3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol (PubChem CID 162544823) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol.

Molecular Properties

Compound Name3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol
PubChem CID162544823
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol
SMILESCC(O)C(=NNc1cccc(OC(F)F)c1)C(C)O
InChIInChI=1S/C12H16F2N2O3/c1-7(17)11(8(2)18)16-15-9-4-3-5-10(6-9)19-12(13)14/h3-8,12,15,17-18H,1-2H3
InChIKeyASGYREIIQSDCLN-UHFFFAOYSA-N
XLogP1.82
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
N-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-4-fluoroaniline
CID 9076263
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
3-[3-(difluoromethoxy)phenyl]-1-[(1R)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 51952913
[3-(difluoromethoxy)phenyl]thiourea
CID 51000160
1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
N-butyl-3-(difluoromethoxy)aniline
CID 43699124

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol?
The IUPAC name of 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol (CID 162544823) is 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol.
What is the SMILES notation for 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol?
The canonical SMILES for 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol is CC(O)C(=NNc1cccc(OC(F)F)c1)C(C)O.
What is the InChIKey of 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol?
The InChIKey is ASGYREIIQSDCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-7(17)11(8(2)18)16-15-9-4-3-5-10(6-9)19-12(13)14/h3-8,12,15,17-18H,1-2H3.
What are the key properties of 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol?
3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol has a molecular weight of 274.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethoxy)phenyl]hydrazinylidene]pentane-2,4-diol is sourced from PubChem (CID 162544823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).