2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide

C10H10F4N2O — CID 64566908

IUPAC2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCCC(F)(F)F
InChIInChI=1S/C10H10F4N2O/c11-6-2-1-3-7(8(6)9(15)16)17-5-4-10(12,13)14/h1-3H,4-5H2,(H3,15,16)
InChIKeyWKISXXYBDIPKBI-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide

2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide (PubChem CID 64566908) has the molecular formula C10H10F4N2O and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
PubChem CID64566908
Molecular FormulaC10H10F4N2O
Molecular Weight250.19 g/mol
Exact Mass250.07
IUPAC Name2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1OCCC(F)(F)F
InChIInChI=1S/C10H10F4N2O/c11-6-2-1-3-7(8(6)9(15)16)17-5-4-10(12,13)14/h1-3H,4-5H2,(H3,15,16)
InChIKeyWKISXXYBDIPKBI-UHFFFAOYSA-N
XLogP2.44
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
2-fluoro-6-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarbothioamide
CID 61490971
2-fluoro-6-[(3-methylphenyl)methoxy]benzenecarboximidamide
CID 43609327
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
2-fluoro-6-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54977390
3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 82955098
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide (CID 64566908) is 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1OCCC(F)(F)F.
What is the InChIKey of 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
The InChIKey is WKISXXYBDIPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O/c11-6-2-1-3-7(8(6)9(15)16)17-5-4-10(12,13)14/h1-3H,4-5H2,(H3,15,16).
What are the key properties of 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide has a molecular weight of 250.19 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide is sourced from PubChem (CID 64566908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).