2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide

C9H8ClFN6 — CID 169365670

IUPAC2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(F)c(-n2cnnn2)c1
InChIInChI=1S/C9H8ClFN6/c10-4-9(12)14-6-1-2-7(11)8(3-6)17-5-13-15-16-17/h1-3,5H,4H2,(H2,12,14)
InChIKeyKMDPIVGUXGGSND-UHFFFAOYSA-N
MW254.66 g/mol
LogP1.03
Rot. Bonds3

About 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide

2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide (PubChem CID 169365670) has the molecular formula C9H8ClFN6 and a molecular weight of 254.66 g/mol. Its IUPAC name is 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide
PubChem CID169365670
Molecular FormulaC9H8ClFN6
Molecular Weight254.66 g/mol
Exact Mass254.05
IUPAC Name2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(F)c(-n2cnnn2)c1
InChIInChI=1S/C9H8ClFN6/c10-4-9(12)14-6-1-2-7(11)8(3-6)17-5-13-15-16-17/h1-3,5H,4H2,(H2,12,14)
InChIKeyKMDPIVGUXGGSND-UHFFFAOYSA-N
XLogP1.03
TPSA81.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
2-chloro-N'-(3-fluorophenyl)ethanimidamide
CID 169368865
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970
2-chloro-N'-[3-chloro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanimidamide
CID 169368197
1-(4-bromo-2,5-difluorophenyl)tetrazole
CID 107613000
2-chloro-N'-[2-fluoro-4-(4-methyltriazol-1-yl)phenyl]ethanimidamide
CID 169367840
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide (CID 169365670) is 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(F)c(-n2cnnn2)c1.
What is the InChIKey of 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide?
The InChIKey is KMDPIVGUXGGSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN6/c10-4-9(12)14-6-1-2-7(11)8(3-6)17-5-13-15-16-17/h1-3,5H,4H2,(H2,12,14).
What are the key properties of 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide?
2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide has a molecular weight of 254.66 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-fluoro-3-(tetrazol-1-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169365670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).