5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole

C15H20FN — CID 174277256

IUPAC5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole
SMILESC=C1c2cc(F)c(C(C)C)cc2CN1C(C)C
InChIInChI=1S/C15H20FN/c1-9(2)13-6-12-8-17(10(3)4)11(5)14(12)7-15(13)16/h6-7,9-10H,5,8H2,1-4H3
InChIKeyAIIKHJRVIAMIOE-UHFFFAOYSA-N
MW233.33 g/mol
LogP4.14
Rot. Bonds2

About 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole

5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole (PubChem CID 174277256) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole.

Molecular Properties

Compound Name5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole
PubChem CID174277256
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole
SMILESC=C1c2cc(F)c(C(C)C)cc2CN1C(C)C
InChIInChI=1S/C15H20FN/c1-9(2)13-6-12-8-17(10(3)4)11(5)14(12)7-15(13)16/h6-7,9-10H,5,8H2,1-4H3
InChIKeyAIIKHJRVIAMIOE-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

US10207991, Ex. Cpd. No. 21
CID 118282965
US10207991, Ex. Cpd. No. 22
CID 118282970
2-(3-methylbutyl)-2,3-dihydro-1H-isoindole
CID 1402693
6-[2-(4-fluorophenyl)ethyl]-2-methyl-3-methylidene-1H-isoindole
CID 134223557
4-[(3-ethenylidene-6-fluoro-4-methyl-1H-isoindol-2-yl)methyl]benzonitrile
CID 163655249
(1R)-1,2-dimethyl-1,3-dihydroisoindole
CID 640575
2-Methyl-2-(2-methylpropyl)-2,3-dihydro-1H-isoindol-2-ium
CID 4619757
2,10-Dimethyl-2,3,4,5,6,7-hexahydro-1H-2-benzazonine
CID 608987
(1S)-1,2-dimethyl-1,3-dihydroisoindole
CID 15401601
Ethyl-2-methylisoindoline
CID 15401610
Tetramethylisoindoline
CID 18354735
Tetraethylisoindoline
CID 22033891

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole?
The IUPAC name of 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole (CID 174277256) is 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole.
What is the SMILES notation for 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole?
The canonical SMILES for 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole is C=C1c2cc(F)c(C(C)C)cc2CN1C(C)C.
What is the InChIKey of 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole?
The InChIKey is AIIKHJRVIAMIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-9(2)13-6-12-8-17(10(3)4)11(5)14(12)7-15(13)16/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole?
5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole has a molecular weight of 233.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylidene-2,6-di(propan-2-yl)-1H-isoindole is sourced from PubChem (CID 174277256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).