1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine

C18H22F2N2O — CID 169384801

IUPAC1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCCCOc1cc(CNNc2ccccc2)cc(F)c1F
InChIInChI=1S/C18H22F2N2O/c1-2-3-7-10-23-17-12-14(11-16(19)18(17)20)13-21-22-15-8-5-4-6-9-15/h4-6,8-9,11-12,21-22H,2-3,7,10,13H2,1H3
InChIKeyUIRMLNPBOIHIRZ-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.65
Rot. Bonds9

About 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine

1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169384801) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169384801
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCCCOc1cc(CNNc2ccccc2)cc(F)c1F
InChIInChI=1S/C18H22F2N2O/c1-2-3-7-10-23-17-12-14(11-16(19)18(17)20)13-21-22-15-8-5-4-6-9-15/h4-6,8-9,11-12,21-22H,2-3,7,10,13H2,1H3
InChIKeyUIRMLNPBOIHIRZ-UHFFFAOYSA-N
XLogP4.65
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluoro-3-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384787
1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384890
1-[(3-methyl-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384784
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384780
1-[(5-methyl-2-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384807
1-[(3,5-difluoro-2-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384804
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385920
N-[(3,4-difluoro-5-pentoxyphenyl)methylideneamino]aniline
CID 169381901
5-bromo-1-decoxy-2,3-difluorobenzene
CID 107098815
1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
CID 169384996
1-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385385
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384738

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine (CID 169384801) is 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine is CCCCCOc1cc(CNNc2ccccc2)cc(F)c1F.
What is the InChIKey of 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is UIRMLNPBOIHIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c1-2-3-7-10-23-17-12-14(11-16(19)18(17)20)13-21-22-15-8-5-4-6-9-15/h4-6,8-9,11-12,21-22H,2-3,7,10,13H2,1H3.
What are the key properties of 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine?
1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 320.38 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).