2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

C11H16F2N2 — CID 83213397

IUPAC2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC(F)F)cc21
InChIInChI=1S/C11H16F2N2/c1-14-10-4-2-3-8-5-15(6-9(8)10)7-11(12)13/h5-6,10-11,14H,2-4,7H2,1H3
InChIKeyYOMFAXCYBDDCGZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.35
Rot. Bonds3

About 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine

2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (PubChem CID 83213397) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
PubChem CID83213397
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
SMILESCNC1CCCc2cn(CC(F)F)cc21
InChIInChI=1S/C11H16F2N2/c1-14-10-4-2-3-8-5-15(6-9(8)10)7-11(12)13/h5-6,10-11,14H,2-4,7H2,1H3
InChIKeyYOMFAXCYBDDCGZ-UHFFFAOYSA-N
XLogP2.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11788296
CID 11788296
CID 15571645
CID 15571645
CID 58435762
CID 58435762
CID 15571646
CID 15571646
CID 15571647
CID 15571647
CID 126703336
CID 126703336
CID 169176623
CID 169176623
CID 55295562
CID 55295562
CID 55298010
CID 55298010
CID 79104714
CID 79104714
CID 79104899
CID 79104899
CID 79105529
CID 79105529

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The IUPAC name of 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine (CID 83213397) is 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The canonical SMILES for 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is CNC1CCCc2cn(CC(F)F)cc21.
What is the InChIKey of 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
The InChIKey is YOMFAXCYBDDCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-14-10-4-2-3-8-5-15(6-9(8)10)7-11(12)13/h5-6,10-11,14H,2-4,7H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine?
2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine has a molecular weight of 214.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine is sourced from PubChem (CID 83213397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).