carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium

C14H15F2NO — CID 158254960

IUPACcarbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium
SMILESCOc1cccc(-c2cc(F)c([NH3+])c(F)c2)c1.[CH3-]
InChIInChI=1S/C13H11F2NO.CH3/c1-17-10-4-2-3-8(5-10)9-6-11(14)13(16)12(15)7-9;/h2-7H,16H2,1H3;1H3/q;-1/p+1
InChIKeyGHEBESSQVRWVMJ-UHFFFAOYSA-O
MW251.28 g/mol
LogP2.96
Rot. Bonds2

About carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium

carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium (PubChem CID 158254960) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium.

Molecular Properties

Compound Namecarbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium
PubChem CID158254960
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Namecarbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium
SMILESCOc1cccc(-c2cc(F)c([NH3+])c(F)c2)c1.[CH3-]
InChIInChI=1S/C13H11F2NO.CH3/c1-17-10-4-2-3-8(5-10)9-6-11(14)13(16)12(15)7-9;/h2-7H,16H2,1H3;1H3/q;-1/p+1
InChIKeyGHEBESSQVRWVMJ-UHFFFAOYSA-O
XLogP2.96
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 165495342
azane;1-methoxy-3-(3-methoxyphenyl)benzene
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CID 175169762
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408

Frequently Asked Questions

What is the IUPAC name of carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium?
The IUPAC name of carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium (CID 158254960) is carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium.
What is the SMILES notation for carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium?
The canonical SMILES for carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium is COc1cccc(-c2cc(F)c([NH3+])c(F)c2)c1.[CH3-].
What is the InChIKey of carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium?
The InChIKey is GHEBESSQVRWVMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11F2NO.CH3/c1-17-10-4-2-3-8(5-10)9-6-11(14)13(16)12(15)7-9;/h2-7H,16H2,1H3;1H3/q;-1/p+1.
What are the key properties of carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium?
carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium has a molecular weight of 251.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2,6-difluoro-4-(3-methoxyphenyl)phenyl]azanium is sourced from PubChem (CID 158254960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).