2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide

C11H12F4N2O — CID 29004870

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-18-5-7-3-1-2-4-8(7)9(16)17/h1-4,10H,5-6H2,(H3,16,17)
InChIKeyGEODUGNLGUKTNY-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.39
Rot. Bonds6

About 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide

2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide (PubChem CID 29004870) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
PubChem CID29004870
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COCC(F)(F)C(F)F
InChIInChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-18-5-7-3-1-2-4-8(7)9(16)17/h1-4,10H,5-6H2,(H3,16,17)
InChIKeyGEODUGNLGUKTNY-UHFFFAOYSA-N
XLogP2.39
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.39
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide (CID 29004870) is 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
The InChIKey is GEODUGNLGUKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-18-5-7-3-1-2-4-8(7)9(16)17/h1-4,10H,5-6H2,(H3,16,17).
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide has a molecular weight of 264.22 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 29004870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).