6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine

C10H8F4N2 — CID 63291648

IUPAC6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CC(F)(F)F
InChIInChI=1S/C10H8F4N2/c11-7-2-1-6-4-16(5-10(12,13)14)9(15)8(6)3-7/h1-3,15H,4-5H2/b15-9-
InChIKeyPCZXNPOMCYWQIH-DHDCSXOGSA-N
MW232.18 g/mol
LogP2.53
Rot. Bonds1

About 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine

6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine (PubChem CID 63291648) has the molecular formula C10H8F4N2 and a molecular weight of 232.18 g/mol. Its IUPAC name is 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
PubChem CID63291648
Molecular FormulaC10H8F4N2
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CC(F)(F)F
InChIInChI=1S/C10H8F4N2/c11-7-2-1-6-4-16(5-10(12,13)14)9(15)8(6)3-7/h1-3,15H,4-5H2/b15-9-
InChIKeyPCZXNPOMCYWQIH-DHDCSXOGSA-N
XLogP2.53
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
CID 63536640
6-fluoro-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3H-isoindol-1-imine
CID 55203061
6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
CID 63536482
N-[2-(5-fluoro-3-imino-1H-isoindol-2-yl)ethyl]-N-methylcyclopropanamine
CID 63291269
6-fluoro-2-(3-methoxy-2-methylpropyl)-3H-isoindol-1-imine
CID 63291313
6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
CID 63291266
6-fluoro-2-[(2-methoxyphenyl)methyl]-3H-isoindol-1-imine
CID 63291515
N-[3-(5-fluoro-3-imino-1H-isoindol-2-yl)propyl]methanesulfonamide
CID 106337066
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
CID 106033698
4-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylbutan-1-amine
CID 63291315
6-fluoro-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-3H-isoindol-1-imine
CID 63291446

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine (CID 63291648) is 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1CC(F)(F)F.
What is the InChIKey of 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine?
The InChIKey is PCZXNPOMCYWQIH-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H8F4N2/c11-7-2-1-6-4-16(5-10(12,13)14)9(15)8(6)3-7/h1-3,15H,4-5H2/b15-9-.
What are the key properties of 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine?
6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine has a molecular weight of 232.18 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine is sourced from PubChem (CID 63291648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).