3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine

C11H9F4N3O — CID 18964661

IUPAC3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OCC(F)(F)C(F)F)cccc21
InChIInChI=1S/C11H9F4N3O/c12-10(13)11(14,15)4-19-6-3-1-2-5-7(6)9(17)18-8(5)16/h1-3,10H,4H2,(H3,16,17,18)
InChIKeyFACKDKXXPXKHRJ-UHFFFAOYSA-N
MW275.20 g/mol
LogP2.01
Rot. Bonds4

About 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine

3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine (PubChem CID 18964661) has the molecular formula C11H9F4N3O and a molecular weight of 275.20 g/mol. Its IUPAC name is 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine.

Molecular Properties

Compound Name3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine
PubChem CID18964661
Molecular FormulaC11H9F4N3O
Molecular Weight275.20 g/mol
Exact Mass275.07
IUPAC Name3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2c(OCC(F)(F)C(F)F)cccc21
InChIInChI=1S/C11H9F4N3O/c12-10(13)11(14,15)4-19-6-3-1-2-5-7(6)9(17)18-8(5)16/h1-3,10H,4H2,(H3,16,17,18)
InChIKeyFACKDKXXPXKHRJ-UHFFFAOYSA-N
XLogP2.01
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(Trifluoromethyl)phenoxy]methyl]benzenecarboximidamide
CID 28395573
3-Ethoxybenzene-1-carboximidamide
CID 4058756
6-(2,2-Dimethylpropoxy)-1-imino-1H-isoindol-3-amine
CID 13888472
4,7-Diisopropoxy-1,3-diiminoisoindoline
CID 10801390
3-Imino-5-propan-2-yloxyisoindol-1-amine
CID 12773071
7-(2,2-Dimethylpropoxy)-3-iminoisoindol-1-amine
CID 15297476
3-Imino-5-phenoxyisoindol-1-amine
CID 19606674
7-Hexoxy-3-iminoisoindol-1-amine
CID 21471047
3-Amino-1-imino-5-methoxy-1H-isoindole
CID 120010
3-Propoxybenzamidine
CID 309353
2-Ethoxybenzamidine
CID 3251023
3-Imino-5-(2,2,2-trifluoroethoxy)isoindol-1-amine
CID 18006514

Frequently Asked Questions

What is the IUPAC name of 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine?
The IUPAC name of 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine (CID 18964661) is 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine.
What is the SMILES notation for 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine?
The canonical SMILES for 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine is [H]/N=C1\N=C(N)c2c(OCC(F)(F)C(F)F)cccc21.
What is the InChIKey of 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine?
The InChIKey is FACKDKXXPXKHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c12-10(13)11(14,15)4-19-6-3-1-2-5-7(6)9(17)18-8(5)16/h1-3,10H,4H2,(H3,16,17,18).
What are the key properties of 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine?
3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine has a molecular weight of 275.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-7-(2,2,3,3-tetrafluoropropoxy)isoindol-1-amine is sourced from PubChem (CID 18964661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).